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CHEBI:187970 - Ptilosteroid B

ChEBI IDCHEBI:187970
ChEBI NamePtilosteroid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O7S
Net Charge0
Average Mass430.563
Monoisotopic Mass430.20252
SMILES[H][C@@]12CC[C@@]3([H])[C@@H](O)[C@@H](O)[C@@H](OS(=O)(=O)O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C=C)[C@@H](O)C[C@@]21[H]
InChIInChI=1S/C21H34O7S/c1-4-12-16(22)9-15-11-5-6-14-18(23)19(24)17(28-29(25,26)27)10-21(14,3)13(11)7-8-20(12,15)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-/m1/s1
InChIKeyPALXRPIPFWOBFC-QCNKIUQCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Ptilosteroid B (CHEBI:187970) is a steroid sulfate (CHEBI:16158)
IUPAC Name 
[(2S,3R,4R,5R,8R,9S,10R,13S,14S,16S,17R)-17-ethenyl-3,4,16-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
LMST02030213LIPID MAPS
26375101ChemSpider