CHEBI:186882 - 24-keto-25dehydrocholesterol

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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 24-keto-25dehydrocholesterol
ChEBI ID CHEBI:186882
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42O2
Net Charge 0
Average Mass 398.631
Monoisotopic Mass 398.31848
InChI InChI=1S/C27H42O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,18,20-24,28H,1,6,8-16H2,2-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey AHQSISRIGWKDQV-ZHHJOTBYSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(=O)C(C)=C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 24-keto-25dehydrocholesterol (CHEBI:186882) is a bile acid (CHEBI:3098)
IUPAC Name
(6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-1-en-3-one
Manual Xrefs Databases
27025191 ChemSpider
LMST01010299 LIPID MAPS
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