CHEBI:173006 - 23-ethyl-24-methyl-27-norcholesta-5,25-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 23-ethyl-24-methyl-27-norcholesta-5,25-dien-3beta-ol
ChEBI ID CHEBI:173006
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H48O
Net Charge 0
Average Mass 412.702
Monoisotopic Mass 412.37052
InChI InChI=1S/C29H48O/c1-7-19(3)21(8-2)17-20(4)25-11-12-26-24-10-9-22-18-23(30)13-15-28(22,5)27(24)14-16-29(25,26)6/h7,9,19-21,23-27,30H,1,8,10-18H2,2-6H3/t19?,20-,21?,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey DPYKOZVWDOMMAH-CYACLDDTSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC(C(C)C=C)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 23-ethyl-24-methyl-27-norcholesta-5,25-dien-3beta-ol (CHEBI:173006) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-ethyl-5-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
29212470 ChemSpider
LMST01031044 LIPID MAPS
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Last Modified
17 January 2023