CHEBI:177122 - 3-Hydroxystigmast-5-en-7-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Hydroxystigmast-5-en-7-one
ChEBI ID CHEBI:177122
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H48O2
Net Charge 0
Average Mass 428.701
Monoisotopic Mass 428.36543
InChI InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1
InChIKey ICFXJOAKQGDRCT-ZIHMWMKCSA-N
SMILES O=C1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CC[C@H](C(C)C)CC)C)[H])(CC[C@@]2([C@@]4(C(=C1)C[C@@H](O)CC4)C)[H])C)[H])[H]
Metabolite of Species Details
Bos grunniens (NCBI:txid30521) Found in subcutaneous adipose tissue (BTO:0004042).
ChEBI Ontology
Outgoing 3-Hydroxystigmast-5-en-7-one (CHEBI:177122) has parent hydride stigmastane (CHEBI:26773)
3-Hydroxystigmast-5-en-7-one (CHEBI:177122) is a steroid (CHEBI:35341)
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Manual Xrefs Databases
141131 ChemSpider
LMST01040169 LIPID MAPS
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Registry Number Type Source
2034-74-4 CAS Registry Number ChemIDplus