CHEBI:192151 - 5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26,27-hexol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-Cholestane-2beta,3alpha,7alpha,12alpha,26,27-hexol
ChEBI ID CHEBI:192151
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H48O6
Net Charge 0
Average Mass 468.675
Monoisotopic Mass 468.34509
InChI InChI=1S/C27H48O6/c1-15(5-4-6-16(13-28)14-29)18-7-8-19-25-20(11-24(33)27(18,19)3)26(2)12-23(32)21(30)9-17(26)10-22(25)31/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19+,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
InChIKey MHKBMAGLFQUWNK-WFCMISQWSA-N
SMILES O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)[C@@H](O)C4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCCC(CO)CO)C)[H])[H])C
Metabolite of Species Details
Marine plankton environmental sample (NCBI:txid632957) Found in endometabolome (MTBLS:000125). See: MetaboLights Study
ChEBI Ontology
Outgoing 5beta-Cholestane-2beta,3alpha,7alpha,12alpha,26,27-hexol (CHEBI:192151) is a steroid (CHEBI:35341)
IUPAC Name
(2S,3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3,7,12-tetrol
Manual Xrefs Databases
4447272 ChemSpider
LMST04030005 LIPID MAPS
View more database links