CHEBI:172367 - isodomoate A(2−)

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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 isodomoate A(2−)
ChEBI ID CHEBI:172367
ChEBI ASCII Name isodomoate A(2-)
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C15H19NO6
Net Charge -2
Average Mass 309.319
Monoisotopic Mass 309.12233
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/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
InChIKey DDAJBUQQWFXHDM-UUYKTWPLSA-L
SMILES [NH2+]1[C@@H]([C@H]([C@H](C1)\C(\C)=C/C/C=C(\C)/C([O-])=O)CC([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing 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 isodomoic acid A (CHEBI:176782) is conjugate acid of isodomoate A(2−) (CHEBI:172367)
Synonym Source
isodomoate A UniProt
Manual Xref Database
CPD-22491 MetaCyc accession
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Citation Waiting for Citations Type Source
30262498 PubMed citation SUBMITTER
Last Modified
07 July 2021