CHEBI:185918 - cholest-7-en-3beta,5alpha,6alpha,9alpha-tetrol

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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 cholest-7-en-3beta,5alpha,6alpha,9alpha-tetrol
ChEBI ID CHEBI:185918
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H46O4
Net Charge 0
Average Mass 434.661
Monoisotopic Mass 434.33961
InChI InChI=1S/C27H46O4/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23(29)27(31)16-19(28)11-12-25(27,5)26(22,30)14-13-24(20,21)4/h15,17-21,23,28-31H,6-14,16H2,1-5H3/t18-,19+,20-,21+,23+,24-,25-,26-,27+/m1/s1
InChIKey GOMPWPOKPPQMCD-BCBAPGJRSA-N
SMILES O[C@]12[C@@]3([C@@](O)([C@@H](O)C=C2[C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC1)C)[H])C[C@@H](O)CC3)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing cholest-7-en-3beta,5alpha,6alpha,9alpha-tetrol (CHEBI:185918) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3S,5R,6S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,5,6,9-tetrol
Manual Xrefs Databases
10216922 ChemSpider
LMST01010262 LIPID MAPS
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