CHEBI:225661 - Acromelic acid B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Acromelic acid B
ChEBI ID CHEBI:225661
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C13H14N2O7
Net Charge 0
Average Mass 310.262
Monoisotopic Mass 310.08010
InChI InChI=1S/C13H14N2O7/c16-8-2-1-5(11(15-8)13(21)22)7-4-14-10(12(19)20)6(7)3-9(17)18/h1-2,6-7,10,14H,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,10-/m0/s1
InChIKey YQDHGMPCSWNBFG-PJKMHFRUSA-N
SMILES O=C1NC(=C([C@@H]2[C@@H]([C@@H](C(=O)O)NC2)CC(=O)O)C=C1)C(=O)O
Metabolite of Species Details
Paralepistopsis acromelalga (NCBI:txid439023) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Acromelic acid B (CHEBI:225661) is a dicarboxylic acid (CHEBI:35692)
Acromelic acid B (CHEBI:225661) is a proline derivative (CHEBI:26273)
Acromelic acid B (CHEBI:225661) is a pyrrolidinecarboxylic acid (CHEBI:46767)
IUPAC Name
3-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxylic acid
Manual Xref Database
139834 ChemSpider
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