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CHEBI:228715 - ST 27:1;O;S

ChEBI IDCHEBI:228715
ChEBI NameST 27:1;O;S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O4S
Net Charge0
Average Mass466.728
Monoisotopic Mass466.31168
SMILESCC(C)CCCC(C)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C
InChIInChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)
InChIKeyBHYOQNUELFTYRT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
ST 27:1;O;S (CHEBI:228715) is a cholestanoid (CHEBI:50401)
IUPAC Name 
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulate
Manual XrefsDatabases
3467086ChemSpider