CHEBI:49269 - 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid
ChEBI ID CHEBI:49269
ChEBI ASCII Name 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H36O5
Net Charge 0
Average Mass 404.53964
Monoisotopic Mass 404.25627
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)/t13-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey ZZUMXQCSMJCDDC-DFQOQHGMSA-N
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-oic acid (CHEBI:49269) has functional parent chol-4-en-24-oic acid (CHEBI:49275)
7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) is a 12α-hydroxy steroid (CHEBI:36846)
7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) is a 3-oxo-Δ4 steroid (CHEBI:47909)
7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) is a 7α-hydroxy steroid (CHEBI:36843)
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)
Incoming 7α,12α-dihydroxy-3-oxochol-4-en-24-oyl-CoA (CHEBI:134364) has functional parent 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269)
7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) has functional parent 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269)
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)
IUPAC Name
7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid
Synonyms Sources
7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate KEGG COMPOUND
7α,12α-dihydroxy-3-oxochol-4-enoic acid ChEBI
Manual Xrefs Databases
C15568 KEGG COMPOUND
LMST04010241 LIPID MAPS
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Registry Number Type Source
3171824 Beilstein Registry Number Beilstein
Last Modified
31 January 2017