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CHEBI:173008 - 27-nor-(24S)-methylcholest-5,22E-dien-3beta-ol

ChEBI IDCHEBI:173008
ChEBI Name27-nor-(24S)-methylcholest-5,22E-dien-3beta-ol
Stars
Last Modified17 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O
Net Charge0
Average Mass384.648
Monoisotopic Mass384.33922
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)/C=C/[C@@H](C)CC
InChIInChI=1S/C27H44O/c1-6-18(2)7-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7-9,18-19,21-25,28H,6,10-17H2,1-5H3/b8-7+/t18-,19+,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKeyUBEHHDQAQBJTAE-QWGBUROSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
27-nor-(24S)-methylcholest-5,22E-dien-3beta-ol (CHEBI:173008) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5S)-5-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
10280106ChemSpider
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