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CHEBI:58804 - 12α-hydroxy-3-oxochola-4,6-dien-24-oate

ChEBI IDCHEBI:58804
ChEBI Name12α-hydroxy-3-oxochola-4,6-dien-24-oate
Stars
ASCII Name12alpha-hydroxy-3-oxochola-4,6-dien-24-oate
DefinitionConjugate base of 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid.
Last Modified1 April 2015
DownloadsMolfile
FormulaC24H33O4
Net Charge-1
Average Mass385.524
Monoisotopic Mass385.23843
SMILES[H][C@@]12C=CC3=CC(=O)CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)[O-]
InChIInChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/p-1/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKeyDJVAMCYXFUWMLS-QUPGBHKMSA-M
ChEBI Ontology
Outgoing Relation(s)
12α-hydroxy-3-oxochola-4,6-dien-24-oate (CHEBI:58804) is a carboxylic acid anion (CHEBI:29067)
12α-hydroxy-3-oxochola-4,6-dien-24-oate (CHEBI:58804) is a steroid acid anion (CHEBI:50160)
12α-hydroxy-3-oxochola-4,6-dien-24-oate (CHEBI:58804) is conjugate base of 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid (CHEBI:49270)
Incoming Relation(s)
12α-hydroxy-3-oxochola-4,6-dien-24-oic acid (CHEBI:49270) is conjugate acid of 12α-hydroxy-3-oxochola-4,6-dien-24-oate (CHEBI:58804)
IUPAC Name 
12α-hydroxy-3-oxochola-4,6-dien-24-oate
UniProt Name  Source
12α-hydroxy-3-oxochola-4,6-dien-24-oateUniProt