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CHEBI:187984 - Ptilosteroid C

ChEBI IDCHEBI:187984
ChEBI NamePtilosteroid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O7S
Net Charge0
Average Mass430.563
Monoisotopic Mass430.20252
SMILES[H][C@]12CC[C@]3(C)[C@@H](C=C)C[C@@H](O)[C@@]3([H])[C@]1([H])CC[C@@]1([H])[C@@H](O)[C@@H](O)[C@@H](OS(=O)(=O)O)C[C@]21C
InChIInChI=1S/C21H34O7S/c1-4-11-9-15(22)17-12-5-6-14-18(23)19(24)16(28-29(25,26)27)10-21(14,3)13(12)7-8-20(11,17)2/h4,11-19,22-24H,1,5-10H2,2-3H3,(H,25,26,27)/t11-,12+,13-,14-,15+,16-,17+,18+,19-,20+,21+/m0/s1
InChIKeyKFOPOXHOEMKJHW-NCHXZLGNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Ptilosteroid C (CHEBI:187984) is a steroid sulfate (CHEBI:16158)
IUPAC Name 
[(2S,3R,4R,5R,8R,9S,10R,13R,14S,15R,17R)-17-ethenyl-3,4,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl] hydrogen sulate
Manual XrefsDatabases
26375165ChemSpider
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