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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12α-hydroxy-3-oxochola-4,6-dien-24-oate
ChEBI ID CHEBI:58804
ChEBI ASCII Name 12alpha-hydroxy-3-oxochola-4,6-dien-24-oate
Definition Conjugate base of 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H33O4
Net Charge -1
Average Mass 385.51640
Monoisotopic Mass 385.23843
InChI InChI=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
InChIKey DJVAMCYXFUWMLS-QUPGBHKMSA-M
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C=CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonym Source
12α-hydroxy-3-oxochola-4,6-dien-24-oate UniProt
Last Modified
01 April 2015