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CHEBI:172367 - isodomoate A(2−)

ChEBI IDCHEBI:172367
ChEBI Nameisodomoate A(2−)
Stars
ASCII Nameisodomoate A(2-)
Last Modified7 July 2021
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC15H19NO6
Net Charge-2
Average Mass309.318
Monoisotopic Mass309.12233
SMILESC/C(=C/C/C=C(\C)C(=O)[O-])[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-]
InChIInChI=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/h4-5,10-11,13,16H,3,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/p-2/b8-4-,9-5+/t10-,11+,13-/m0/s1
InChIKeyDDAJBUQQWFXHDM-UUYKTWPLSA-L
ChEBI Ontology
Outgoing Relation(s)
isodomoate A(2−) (CHEBI:172367) is a tricarboxylic acid dianion (CHEBI:36300)
isodomoate A(2−) (CHEBI:172367) is conjugate base of isodomoic acid A (CHEBI:176782)
Incoming Relation(s)
isodomoic acid A (CHEBI:176782) is conjugate acid of isodomoate A(2−) (CHEBI:172367)
UniProt Name  Source
isodomoate AUniProt
Manual XrefsDatabases
CPD-22491MetaCyc
Citations