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CHEBI:187595 - campest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol

ChEBI IDCHEBI:187595
ChEBI Namecampest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O9
Net Charge0
Average Mass528.683
Monoisotopic Mass528.32983
SMILES[H][C@]12CC[C@@]3(C)[C@@](O)([C@@H](O)C[C@]3([H])[C@H](C)/C=C/[C@@H](C)[C@@](C)(O)CO)[C@]1(O)C[C@H](O)[C@@]1(O)[C@@H](O)[C@@H](O)CC[C@@]12C
InChIInChI=1S/C28H48O9/c1-15(6-7-16(2)25(5,34)14-29)17-12-20(31)28(37)23(17,3)11-9-19-24(4)10-8-18(30)22(33)27(24,36)21(32)13-26(19,28)35/h6-7,15-22,29-37H,8-14H2,1-5H3/b7-6+/t15-,16-,17-,18+,19-,20+,21+,22+,23-,24-,25+,26+,27-,28+/m1/s1
InChIKeyYBHRKPRZIIWOHY-LNCPMJPISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
campest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol (CHEBI:187595) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,4S,5R,6S,8S,9R,10R,13R,14R,15S,17R)-17-[(E,2R,5R,6R)-6,7-dihydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,4,5,6,8,14,15-heptol
Manual XrefsDatabases
LMST01031080LIPID MAPS
29216604ChemSpider