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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 27-nor-(24S)-methylcholest-5,22E-dien-3beta-ol
ChEBI ID CHEBI:173008
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H44O
Net Charge 0
Average Mass 384.648
Monoisotopic Mass 384.33922
InChI InChI=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
InChIKey UBEHHDQAQBJTAE-QWGBUROSSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@H](C)/C=C/[C@H](CC)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
10280106 ChemSpider
LMST01031049 LIPID MAPS
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Last Modified
17 January 2023