EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186959 - estra-1,3,5(10),7-tetraene-3,17alpha-diol

ChEBI IDCHEBI:186959
ChEBI Nameestra-1,3,5(10),7-tetraene-3,17alpha-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O2
Net Charge0
Average Mass270.372
Monoisotopic Mass270.16198
SMILES[H][C@]12CC[C@]3(C)[C@H](O)CC[C@@]3([H])C1=CCc1cc(O)ccc12
InChIInChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17-,18+/m1/s1
InChIKeyNLLMJANWPUQQTA-SPUZQDLCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
estra-1,3,5(10),7-tetraene-3,17alpha-diol (CHEBI:186959) is a 17-hydroxy steroid (CHEBI:36838)
IUPAC Name 
(9S,13S,14S,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Manual XrefsDatabases
LMST02010024LIPID MAPS
7826162ChemSpider
Registry NumbersSources
CAS:651-55-8ChemIDplus