CHEBI:187969 - 5beta-cholest-24-ene-3alpha,7alpha-diol

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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 5beta-cholest-24-ene-3alpha,7alpha-diol
ChEBI ID CHEBI:187969
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H46O2
Net Charge 0
Average Mass 402.663
Monoisotopic Mass 402.34978
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h7,18-25,28-29H,6,8-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey DVOUHDSKUHUBQI-TVRYRFOISA-N
SMILES O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC=C(C)C)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 5beta-cholest-24-ene-3alpha,7alpha-diol (CHEBI:187969) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Manual Xrefs Databases
4447360 ChemSpider
LMST04030115 LIPID MAPS
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