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fumaric acid (CHEBI:18012)

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ChEBI Name fumaric acid
ChEBI ID CHEBI:18012
Last Modified 02 December 2009
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5190, CHEBI:24124, CHEBI:616838, CHEBI:42743, CHEBI:620753

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InChI
InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/f/h5,7H
InChIKey
InChIKey=VZCYOOQTPOCHFL-KHGLRPAFDO
SMILES
OC(=O)\C=C\C(O)=O
Formula Source
C4H4O4 KEGG COMPOUND
Charge 0
Mass 116.07216
ChEBI Ontology
Tree view
Outgoing fumaric acid (CHEBI:18012) is a butenedioic acid (CHEBI:22958)
fumaric acid (CHEBI:18012) is conjugate acid of fumarate(1−) (CHEBI:37154)
Incoming (E)-3-carboxyprop-2-enoyl group (CHEBI:24126) is substituent group from fumaric acid (CHEBI:18012)
dihydroxyfumaric acid (CHEBI:4593) has functional parent fumaric acid (CHEBI:18012)
(2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid (CHEBI:15661) has functional parent fumaric acid (CHEBI:18012)
fumaroyl group (CHEBI:24125) is substituent group from fumaric acid (CHEBI:18012)
fumarate(1−) (CHEBI:37154) is conjugate base of fumaric acid (CHEBI:18012)
mesaconic acid (CHEBI:16600) has functional parent fumaric acid (CHEBI:18012)
IUPAC Name
(2E)-but-2-enedioic acid
Synonyms Sources
(2E)-2-butenedioic acid NIST Chemistry WebBook
(E)-2-butenedioic acid NIST Chemistry WebBook
FUMARIC ACID MSDchem
Fumaric acid KEGG COMPOUND
Fumarsäure ChEBI
trans-1,2-ethylenedicarboxylic acid ChemIDplus
trans-but-2-enedioic acid IUPAC
trans-Butenedioic acid KEGG COMPOUND
Database Links Databases
C00122 KEGG COMPOUND
FUM MSDchem
616838 ChEMBL
Registry Numbers Types Sources
110-17-8 CAS Registry Number KEGG COMPOUND
110-17-8 CAS Registry Number NIST Chemistry WebBook
110-17-8 CAS Registry Number ChemIDplus
49855 Gmelin Registry Number Gmelin
605763 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
18942826 PubMed citation ChEMBL
19364117 PubMed citation ChEMBL

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