CHEBI:58803 - 7α,12α-dihydroxy-3-oxochol-4-en-24-oate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7α,12α-dihydroxy-3-oxochol-4-en-24-oate
ChEBI ID CHEBI:58803
ChEBI ASCII Name 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oate
Definition Conjugate base of 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H35O5
Net Charge -1
Average Mass 403.53170
Monoisotopic Mass 403.24900
InChI InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h10,13,16-20,22,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/p-1/t13-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey ZZUMXQCSMJCDDC-DFQOQHGMSA-M
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)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 7α,12α-dihydroxy-3-oxochol-4-en-24-oate (CHEBI:58803) is a carboxylic acid anion (CHEBI:29067)
7α,12α-dihydroxy-3-oxochol-4-en-24-oate (CHEBI:58803) is a steroid acid anion (CHEBI:50160)
7α,12α-dihydroxy-3-oxochol-4-en-24-oate (CHEBI:58803) is conjugate base of 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269)
Incoming 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) is conjugate acid of 7α,12α-dihydroxy-3-oxochol-4-en-24-oate (CHEBI:58803)
IUPAC Name
7α,12α-dihydroxy-3-oxochol-4-en-24-oate
Synonyms Sources
(7α,12α)-7,12-dihydroxy-3-oxochol-4-en-24-oate ChEBI
7α,12α-dihydroxy-3-oxochol-4-en-24-oate UniProt
Last Modified
01 April 2015