CHEBI:230712 - 26,27-bisnor-22-dehydro-cholesterol

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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 26,27-bisnor-22-dehydro-cholesterol
ChEBI ID CHEBI:230712
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H40O
Net Charge 0
Average Mass 356.594
Monoisotopic Mass 356.30792
InChI InChI=1S/C25H40O/c1-5-6-7-17(2)21-10-11-22-20-9-8-18-16-19(26)12-14-24(18,3)23(20)13-15-25(21,22)4/h6-8,17,19-23,26H,5,9-16H2,1-4H3/b7-6+/t17-,19+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey XDPJDMBYHDXXRP-GVXIOPDWSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@H]3[C@H]([C@H]4[C@@]([C@H](CC4)[C@H](C)/C=C/CC)(CC3)C)CC2)(CC1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 26,27-bisnor-22-dehydro-cholesterol (CHEBI:230712) is a organic molecular entity (CHEBI:50860)
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-hex-3-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
20121961 ChemSpider
LMST01010287 LIPID MAPS
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