CHEBI:49270 - 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid
ChEBI ID CHEBI:49270
ChEBI ASCII Name 12alpha-hydroxy-3-oxochola-4,6-dien-24-oic acid
Definition A 3-oxo Δ4-steroid that is 3-oxochola-4,6-dien-24-oic acid carrying an additional hydroxy group at the 12α-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H34O4
Net Charge 0
Average Mass 386.52436
Monoisotopic Mass 386.24571
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)/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey DJVAMCYXFUWMLS-QUPGBHKMSA-N
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-oic acid (CHEBI:49270) has functional parent chola-4,6-dien-24-oic acid (CHEBI:49277)
12α-hydroxy-3-oxochola-4,6-dien-24-oic acid (CHEBI:49270) is a 12α-hydroxy steroid (CHEBI:36846)
12α-hydroxy-3-oxochola-4,6-dien-24-oic acid (CHEBI:49270) is a 3-oxo-Δ4 steroid (CHEBI:47909)
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)
Incoming 12α-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA (CHEBI:134366) has functional parent 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid (CHEBI:49270)
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)
IUPAC Name
12α-hydroxy-3-oxochola-4,6-dien-24-oic acid
Synonyms Sources
12alpha-Hydroxy-3-oxochola-4,6-dienoate KEGG COMPOUND
12α-hydroxy-3-oxochola-4,6-dienoic acid ChEBI
Manual Xrefs Databases
C15569 KEGG COMPOUND
LMST04010245 LIPID MAPS
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Registry Number Type Source
3224435 Beilstein Registry Number Beilstein
Last Modified
31 January 2017