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CHEBI:212144 - Acromelic acid C

ChEBI IDCHEBI:212144
ChEBI NameAcromelic acid C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14N2O5
Net Charge0
Average Mass266.253
Monoisotopic Mass266.09027
SMILESO=C(O)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]1c1ccc(=O)nc1
InChIInChI=1S/C12H14N2O5/c15-9-2-1-6(4-13-9)8-5-14-11(12(18)19)7(8)3-10(16)17/h1-2,4,7-8,11,14H,3,5H2,(H,13,15)(H,16,17)(H,18,19)/t7-,8+,11-/m0/s1
InChIKeyIZOVOLIVYUHJAA-RNSXUZJQSA-N
Species of MetaboliteComponentSourceComments
Paralepistopsis acromelalga (ncbitaxon:439023) - DOI (10.1016/s0040-4039(00)97501-4)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Acromelic acid C (CHEBI:212144) is a dicarboxylic acid (CHEBI:35692)
Acromelic acid C (CHEBI:212144) is a proline derivative (CHEBI:26273)
Acromelic acid C (CHEBI:212144) is a pyrrolidinecarboxylic acid (CHEBI:46767)
IUPAC Name 
(2S,3S,4S)-3-(carboxymethyl)-4-(6-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
156023ChemSpider