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Showing metabocard for 4-Fumarylacetoacetic acid (HMDB0001268)

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enzymes (2) Show 2 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:15:34 UTC
HMDB IDHMDB0001268
Secondary Accession Numbers
  • HMDB0001428
  • HMDB01268
  • HMDB01428
Metabolite Identification
Common Name4-Fumarylacetoacetic acid
Description4-Fumarylacetoacetic acid is an intermediate in the metabolism of tyrosine. Fumarylacetoacetate hydrolase (FAH) is an enzyme which catalyzes the hydrolysis of 4-fumarylacetoacetate into fumarate and acetoacetate. FAH is the last enzyme in the tyrosine catabolism pathway. FAH deficiency is associated with Type 1 hereditary tyrosinemia.
Structure
Data?1676999734
MOLSDFPDBSMILESInChI

MOL for HMDB0001268 (4-Fumarylacetoacetic acid)

Not Available

3D MOL for HMDB0001268 (4-Fumarylacetoacetic acid)

Not Available

3D SDF for HMDB0001268 (4-Fumarylacetoacetic acid)

Not Available

3D-SDF for HMDB0001268 (4-Fumarylacetoacetic acid)

Not Available

PDB for HMDB0001268 (4-Fumarylacetoacetic acid)

Not Available

3D PDB for HMDB0001268 (4-Fumarylacetoacetic acid)

Not Available

SMILES for HMDB0001268 (4-Fumarylacetoacetic acid)

Not Available

INCHI for HMDB0001268 (4-Fumarylacetoacetic acid)

Not Available
View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC8H8O6
Average Molecular Weight200.1455
Monoisotopic Molecular Weight200.032087988
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number28613-33-4
SMILESNot Available
InChI Identifier
InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1+
InChI KeyGACSIVHAIFQKTC-OWOJBTEDSA-N
Chemical Taxonomy
ClassificationNot classified
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties
Predicted Molecular PropertiesNot Available
Predicted Chromatographic Properties

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.3.51 minutes32390414
Predicted by Siyang on May 30, 20229.8932 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20225.1 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid91.7 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid975.9 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid299.1 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid74.8 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid177.3 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid56.1 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid251.3 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid319.7 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)215.1 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid658.4 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid161.2 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid959.9 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid214.9 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid217.5 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate681.7 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA230.6 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water287.9 seconds40023050

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
4-Fumarylacetoacetic acid,1TMS,isomer #1C[Si](C)(C)OC(=O)CC(=O)CC(=O)/C=C/C(=O)O1850.6Semi standard non polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #1C[Si](C)(C)OC(=O)CC(=O)CC(=O)/C=C/C(=O)O1802.6Standard non polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #1C[Si](C)(C)OC(=O)CC(=O)CC(=O)/C=C/C(=O)O2928.3Standard polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #2C[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O1810.5Semi standard non polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #2C[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O1784.1Standard non polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #2C[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O2756.6Standard polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #3C[Si](C)(C)OC(=CC(=O)/C=C/C(=O)O)CC(=O)O2029.7Semi standard non polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #3C[Si](C)(C)OC(=CC(=O)/C=C/C(=O)O)CC(=O)O1850.0Standard non polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #3C[Si](C)(C)OC(=CC(=O)/C=C/C(=O)O)CC(=O)O3160.2Standard polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #4C[Si](C)(C)OC(=CC(=O)O)CC(=O)/C=C/C(=O)O2001.7Semi standard non polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #4C[Si](C)(C)OC(=CC(=O)O)CC(=O)/C=C/C(=O)O1801.9Standard non polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #4C[Si](C)(C)OC(=CC(=O)O)CC(=O)/C=C/C(=O)O3259.3Standard polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #5C[Si](C)(C)OC(=CC(=O)CC(=O)O)/C=C/C(=O)O2028.1Semi standard non polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #5C[Si](C)(C)OC(=CC(=O)CC(=O)O)/C=C/C(=O)O1863.9Standard non polar33892256
4-Fumarylacetoacetic acid,1TMS,isomer #5C[Si](C)(C)OC(=CC(=O)CC(=O)O)/C=C/C(=O)O3080.4Standard polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O[Si](C)(C)C1885.1Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O[Si](C)(C)C1869.5Standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O[Si](C)(C)C2255.4Standard polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #2C[Si](C)(C)OC(=O)CC(=CC(=O)/C=C/C(=O)O)O[Si](C)(C)C2101.4Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #2C[Si](C)(C)OC(=O)CC(=CC(=O)/C=C/C(=O)O)O[Si](C)(C)C1960.9Standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #2C[Si](C)(C)OC(=O)CC(=CC(=O)/C=C/C(=O)O)O[Si](C)(C)C2582.1Standard polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #3C[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O)O[Si](C)(C)C2063.0Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #3C[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O)O[Si](C)(C)C1925.8Standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #3C[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O)O[Si](C)(C)C2518.5Standard polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #4C[Si](C)(C)OC(=O)CC(=O)C=C(/C=C/C(=O)O)O[Si](C)(C)C2097.1Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #4C[Si](C)(C)OC(=O)CC(=O)C=C(/C=C/C(=O)O)O[Si](C)(C)C1957.6Standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #4C[Si](C)(C)OC(=O)CC(=O)C=C(/C=C/C(=O)O)O[Si](C)(C)C2523.3Standard polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #5C[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O)O[Si](C)(C)C2114.4Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #5C[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O)O[Si](C)(C)C1955.1Standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #5C[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O)O[Si](C)(C)C2464.1Standard polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #6C[Si](C)(C)OC(=O)/C=C/C(=O)CC(=CC(=O)O)O[Si](C)(C)C2055.0Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #6C[Si](C)(C)OC(=O)/C=C/C(=O)CC(=CC(=O)O)O[Si](C)(C)C1877.4Standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #6C[Si](C)(C)OC(=O)/C=C/C(=O)CC(=CC(=O)O)O[Si](C)(C)C2506.9Standard polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #7C[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O)O[Si](C)(C)C2106.0Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #7C[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O)O[Si](C)(C)C1941.6Standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #7C[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O)O[Si](C)(C)C2506.4Standard polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #8C[Si](C)(C)OC(=CC(=O)O)C=C(/C=C/C(=O)O)O[Si](C)(C)C2270.0Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #8C[Si](C)(C)OC(=CC(=O)O)C=C(/C=C/C(=O)O)O[Si](C)(C)C2041.8Standard non polar33892256
4-Fumarylacetoacetic acid,2TMS,isomer #8C[Si](C)(C)OC(=CC(=O)O)C=C(/C=C/C(=O)O)O[Si](C)(C)C2735.4Standard polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O[Si](C)(C)C)O[Si](C)(C)C2137.1Semi standard non polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O[Si](C)(C)C)O[Si](C)(C)C1984.7Standard non polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O[Si](C)(C)C)O[Si](C)(C)C2195.5Standard polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O[Si](C)(C)C)O[Si](C)(C)C2027.2Semi standard non polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O[Si](C)(C)C)O[Si](C)(C)C1968.9Standard non polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O[Si](C)(C)C)O[Si](C)(C)C2105.1Standard polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C2116.3Semi standard non polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C1991.6Standard non polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C2218.9Standard polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2273.3Semi standard non polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2099.8Standard non polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2362.7Standard polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #5C[Si](C)(C)OC(=O)/C=C/C(=CC(=CC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2231.1Semi standard non polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #5C[Si](C)(C)OC(=O)/C=C/C(=CC(=CC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2062.5Standard non polar33892256
4-Fumarylacetoacetic acid,3TMS,isomer #5C[Si](C)(C)OC(=O)/C=C/C(=CC(=CC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2392.4Standard polar33892256
4-Fumarylacetoacetic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2234.6Semi standard non polar33892256
4-Fumarylacetoacetic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2121.2Standard non polar33892256
4-Fumarylacetoacetic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2112.5Standard polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(=O)CC(=O)/C=C/C(=O)O2091.2Semi standard non polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(=O)CC(=O)/C=C/C(=O)O2027.7Standard non polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(=O)CC(=O)/C=C/C(=O)O2876.6Standard polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O2060.9Semi standard non polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O2007.4Standard non polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O2742.8Standard polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=CC(=O)/C=C/C(=O)O)CC(=O)O2267.6Semi standard non polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=CC(=O)/C=C/C(=O)O)CC(=O)O2052.0Standard non polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=CC(=O)/C=C/C(=O)O)CC(=O)O3069.9Standard polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=CC(=O)O)CC(=O)/C=C/C(=O)O2235.8Semi standard non polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=CC(=O)O)CC(=O)/C=C/C(=O)O2015.4Standard non polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=CC(=O)O)CC(=O)/C=C/C(=O)O3132.8Standard polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=CC(=O)CC(=O)O)/C=C/C(=O)O2268.6Semi standard non polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=CC(=O)CC(=O)O)/C=C/C(=O)O2065.8Standard non polar33892256
4-Fumarylacetoacetic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=CC(=O)CC(=O)O)/C=C/C(=O)O2997.4Standard polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O[Si](C)(C)C(C)(C)C2345.8Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O[Si](C)(C)C(C)(C)C2331.3Standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)CC(=O)CC(=O)O[Si](C)(C)C(C)(C)C2442.9Standard polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC(=CC(=O)/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C2538.6Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC(=CC(=O)/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C2384.8Standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC(=CC(=O)/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C2656.8Standard polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C2498.5Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C2345.9Standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C2623.0Standard polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC(=O)C=C(/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C2538.3Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC(=O)C=C(/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C2373.6Standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC(=O)C=C(/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C2627.6Standard polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O)O[Si](C)(C)C(C)(C)C2590.8Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O)O[Si](C)(C)C(C)(C)C2352.8Standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O)O[Si](C)(C)C(C)(C)C2591.9Standard polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)CC(=CC(=O)O)O[Si](C)(C)C(C)(C)C2515.3Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)CC(=CC(=O)O)O[Si](C)(C)C(C)(C)C2334.4Standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)CC(=CC(=O)O)O[Si](C)(C)C(C)(C)C2595.7Standard polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O)O[Si](C)(C)C(C)(C)C2555.9Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O)O[Si](C)(C)C(C)(C)C2369.4Standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O)O[Si](C)(C)C(C)(C)C2615.1Standard polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=CC(=O)O)C=C(/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C2715.3Semi standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=CC(=O)O)C=C(/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C2434.9Standard non polar33892256
4-Fumarylacetoacetic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=CC(=O)O)C=C(/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C2777.4Standard polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2808.6Semi standard non polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2605.8Standard non polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=CC(=O)CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2491.8Standard polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2659.1Semi standard non polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2597.4Standard non polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C=C(CC(=O)/C=C/C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2418.9Standard polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2770.8Semi standard non polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2629.8Standard non polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)C=C(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2506.2Standard polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2929.7Semi standard non polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2679.9Standard non polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2613.7Standard polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=CC(=CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2980.5Semi standard non polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=CC(=CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2683.6Standard non polar33892256
4-Fumarylacetoacetic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=CC(=CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2623.3Standard polar33892256
4-Fumarylacetoacetic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3121.7Semi standard non polar33892256
4-Fumarylacetoacetic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2844.0Standard non polar33892256
4-Fumarylacetoacetic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C=C(C=C(/C=C/C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2498.3Standard polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
External LinksNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. Fumarylacetoacetase
General function:
Involved in fumarylacetoacetase activity
Specific function:
Not Available
Gene Name:
FAH
Uniprot ID:
P16930
Molecular weight:
46373.97
Reactions
4-Fumarylacetoacetic acid + Water → Acetoacetic acid + Fumaric aciddetails
Acetoacetic acid + Fumaric acid → 4-Fumarylacetoacetic acid + Waterdetails
Enzyme Details
2. Maleylacetoacetate isomerase
General function:
Involved in catalytic activity
Specific function:
Bifunctional enzyme showing minimal glutathione-conjugating activity with ethacrynic acid and 7-chloro-4-nitrobenz-2-oxa-1,3-diazole and maleylacetoacetate isomerase activity. Has also low glutathione peroxidase activity with T-butyl and cumene hydroperoxides. Is able to catalyze the glutathione dependent oxygenation of dichloroacetic acid to glyoxylic acid.
Gene Name:
GSTZ1
Uniprot ID:
O43708
Molecular weight:
17895.68
Reactions
Maleylacetoacetic acid → 4-Fumarylacetoacetic aciddetails