The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB02852 http://purl.obolibrary.org/obo/dinto_DB02852
Preferred Name	domoic acid
Synonyms	(2S,3S,4S)-4-[(2E,4E,6S)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid C15H21NO6
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	domoic acid
label	domoic acid
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=VZFRNCSOCOPNDB-AJKFJWDBSA-N
Synonym	(2S,3S,4S)-4-[(2E,4E,6S)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid C15H21NO6
xref	PDB:DOQ PubChem Substance:46505755 PubChem Compound:17753955
CASRN	14277-97-5
prefixIRI	obo2:dinto_DB02852
related with	http://purl.obolibrary.org/obo/dinto_2226
SMILES	C[C@@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O
InChI	InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10-,11+,13-/m0/s1
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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