EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167134 - 16α-hydroxygypsogenate(2−)

ChEBI IDCHEBI:167134
ChEBI Name16α-hydroxygypsogenate(2−)
Stars
ASCII Name16alpha-hydroxygypsogenate(2-)
Last Modified18 August 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H44O6
Net Charge-2
Average Mass500.676
Monoisotopic Mass500.31489
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)[O-])[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)C(=O)[O-]
InChIInChI=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
InChIKeyNZUXOCGZXRCSGC-DRLBPWGQSA-L
ChEBI Ontology
Outgoing Relation(s)
16α-hydroxygypsogenate(2−) (CHEBI:167134) is a dicarboxylic acid dianion (CHEBI:28965)
16α-hydroxygypsogenate(2−) (CHEBI:167134) is a isoprenoid (CHEBI:24913)
Incoming Relation(s)
16α-hydroxygypsogenate 28-β-D-glucoside(1−) (CHEBI:167135) has functional parent 16α-hydroxygypsogenate(2−) (CHEBI:167134)
UniProt Name  Source
16α-hydroxygypsogenateUniProt
Manual XrefsDatabases
CPD-9476MetaCyc
Citations