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CHEBI:185087 - 5alpha-Dermophol

ChEBI IDCHEBI:185087
ChEBI Name5alpha-Dermophol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O6
Net Charge0
Average Mass468.675
Monoisotopic Mass468.34509
SMILES[H][C@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(O)(CO)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O6/c1-16(5-4-9-27(33,14-28)15-29)19-6-7-20-24-21(13-23(32)26(19,20)3)25(2)10-8-18(30)11-17(25)12-22(24)31/h16-24,28-33H,4-15H2,1-3H3/t16-,17-,18-,19-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKeyHPLSPEXKVCTFLL-WBDPMGSVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5alpha-Dermophol (CHEBI:185087) is a steroid (CHEBI:35341)
IUPAC Name 
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-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-3,7,12-triol
Manual XrefsDatabases
LMST04030006LIPID MAPS
4447273ChemSpider