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CHEBI:84330 - N3-fumaroyl-(S)-2,3-diaminopropanoate

ChEBI IDCHEBI:84330
ChEBI NameN3-fumaroyl-(S)-2,3-diaminopropanoate
Stars
ASCII NameN(3)-fumaroyl-(S)-2,3-diaminopropanoate
DefinitionAn α-amino-acid anion that is the conjugate base of N3-fumaroyl-(S)-2,3-diaminopropanoic acid; major species at pH 7.3.
Last Modified31 March 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H9N2O5
Net Charge-1
Average Mass201.158
Monoisotopic Mass201.05169
SMILES[NH3+][C@@H](CNC(=O)/C=C/C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C7H10N2O5/c8-4(7(13)14)3-9-5(10)1-2-6(11)12/h1-2,4H,3,8H2,(H,9,10)(H,11,12)(H,13,14)/p-1/b2-1+/t4-/m0/s1
InChIKeyFYPSRFSOOLJBNE-QPHDTYRISA-M
ChEBI Ontology
Outgoing Relation(s)
N3-fumaroyl-(S)-2,3-diaminopropanoate (CHEBI:84330) is a α-amino-acid anion (CHEBI:33558)
N3-fumaroyl-(S)-2,3-diaminopropanoate (CHEBI:84330) is conjugate base of N3-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346)
Incoming Relation(s)
N3-fumaroyl-(S)-2,3-diaminopropanoic acid (CHEBI:85346) is conjugate acid of N3-fumaroyl-(S)-2,3-diaminopropanoate (CHEBI:84330)
IUPAC Name 
(2E)-4-{[(2S)-2-azaniumyl-2-carboxylatoethyl]amino}-4-oxobut-2-enoate
Synonym  Source
(2E)-4-[[(2S)-2-amino-2-carboxyethyl]amino]-4-oxobut-2-enoateSUBMITTER
UniProt Name  Source
N3-fumaroyl-(S)-2,3-diaminopropanoateUniProt
Manual XrefsDatabases
CPD0-1237MetaCyc
Citations