CHEBI:175094 - 5a-Cholest-8-en-3b-ol

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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 5a-Cholest-8-en-3b-ol
ChEBI ID CHEBI:175094
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H46O
Net Charge 0
Average Mass 386.664
Monoisotopic Mass 386.35487
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19?,20?,21?,23?,24?,26-,27+/m0/s1
InChIKey QETLKNDKQOXZRP-HZNIJUQOSA-N
SMILES OC1CC2[C@@](C3=C(C4[C@@](C(CC4)C(CCCC(C)C)C)(CC3)C)CC2)(CC1)C
ChEBI Ontology
Outgoing 5a-Cholest-8-en-3b-ol (CHEBI:175094) is a cholestanoid (CHEBI:50401)
IUPAC Name
(10S,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
C03845 KEGG COMPOUND
LMST01010096 LIPID MAPS
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