CHEBI:167134 - 16α-hydroxygypsogenate(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 16α-hydroxygypsogenate(2−)
ChEBI ID CHEBI:167134
ChEBI ASCII Name 16alpha-hydroxygypsogenate(2-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
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Formula C30H44O6
Net Charge -2
Average Mass 500.677
Monoisotopic Mass 500.31489
InChI InChI=1S/C30H46O6/c1-25(2)13-14-30(24(35)36)18(15-25)17-7-8-19-26(3)11-10-21(31)29(6,23(33)34)20(26)9-12-27(19,4)28(17,5)16-22(30)32/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/p-2/t18-,19+,20+,21-,22+,26+,27+,28+,29-,30+/m0/s1
InChIKey NZUXOCGZXRCSGC-DRLBPWGQSA-L
SMILES [O-]C(=O)[C@@]12[C@@H](C[C@]3([C@@]4(CC[C@]5([C@]([C@H](CC[C@@]5([C@]4(CC=C3[C@@]1(CC(C)(C)CC2)[H])[H])C)O)(C)C([O-])=O)[H])C)C)O
ChEBI Ontology
Outgoing 16α-hydroxygypsogenate(2−) (CHEBI:167134) is a dicarboxylic acid dianion (CHEBI:28965)
16α-hydroxygypsogenate(2−) (CHEBI:167134) is a isoprenoid (CHEBI:24913)
Incoming 16α-hydroxygypsogenate 28-β-D-glucoside(1−) (CHEBI:167135) has functional parent 16α-hydroxygypsogenate(2−) (CHEBI:167134)
Synonym Source
16α-hydroxygypsogenate UniProt
Manual Xref Database
CPD-9476 MetaCyc accession
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Citation Waiting for Citations Type Source
17172290 PubMed citation SUBMITTER
Last Modified
18 August 2021