CHEBI:186871 - 5beta-Cholestane-3alpha,7alpha,12alpha,23,25-pentol

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ChEBI Name 5beta-Cholestane-3alpha,7alpha,12alpha,23,25-pentol
ChEBI ID CHEBI:186871
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H48O5
Net Charge 0
Average Mass 452.676
Monoisotopic Mass 452.35017
InChI InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18?,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey OXSBBBPDYVCAKC-JZXYSUIZSA-N
SMILES O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CC(O)CC(O)(C)C)C)[H])[H])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 5beta-Cholestane-3alpha,7alpha,12alpha,23,25-pentol (CHEBI:186871) is a steroid (CHEBI:35341)
IUPAC Name
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4,6-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Manual Xrefs Databases
4447300 ChemSpider
HMDB0062421 HMDB
LMST04030038 LIPID MAPS
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