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CHEBI:188204 - Nebrosteroid K

ChEBI IDCHEBI:188204
ChEBI NameNebrosteroid K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C(=O)OC)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C28H46O3/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(29)13-16-28(20,26(30)31-5)25(22)14-15-27(23,24)4/h9,18-19,21-25,29H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,27-,28-/m1/s1
InChIKeyRJUFSIGCWNUVCK-ROUDTPAMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Nebrosteroid K (CHEBI:188204) is a cholestanoid (CHEBI:50401)
IUPAC Name 
methyl (3S,8S,9S,10S,13R,14S,17R)-3-hydroxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxylate
Manual XrefsDatabases
27024111ChemSpider
LMST01010338LIPID MAPS