CHEBI:173064 - (3S,6R,9R)-9(10-6)abeo-5(10),7-cholestadien-3-ol

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ChEBI Name (3S,6R,9R)-9(10-6)abeo-5(10),7-cholestadien-3-ol
ChEBI ID CHEBI:173064
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H44O
Net Charge 0
Average Mass 384.648
Monoisotopic Mass 384.33922
InChI InChI=1S/C27H44O/c1-17(2)7-6-8-19(4)25-11-12-26-24-16-23(21(24)13-14-27(25,26)5)22-15-20(28)10-9-18(22)3/h16-17,19-21,23,25-26,28H,6-15H2,1-5H3/t19-,20+,21-,23-,25-,26+,27-/m1/s1
InChIKey XXELXWZVVFMNHA-CDEMVWFCSA-N
SMILES O[C@@H]1CC([C@]2([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])=C2)[H])[H])=C(CC1)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing (3S,6R,9R)-9(10-6)abeo-5(10),7-cholestadien-3-ol (CHEBI:173064) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1S)-3-[(2R,2aR,4aR,5R,7aR)-4a-methyl-5-[(2R)-6-methylheptan-2-yl]-2,2a,3,4,5,6,7,7a-octahydrocyclobuta[e]inden-2-yl]-4-methylcyclohex-3-en-1-ol
Manual Xrefs Databases
7826368 ChemSpider
LMST03020227 LIPID MAPS
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