CHEBI:186771 - DHCEO

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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 DHCEO
ChEBI ID CHEBI:186771
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H44O3
Net Charge 0
Average Mass 416.646
Monoisotopic Mass 416.32905
InChI InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h15,17-19,21-23,28,30H,6-14,16H2,1-5H3/t18-,19+,21+,22+,23+,25-,26-,27+/m1/s1
InChIKey OGZFTYMLHGZVCH-GJQHYQARSA-N
SMILES O[C@]12[C@@]([C@@]3(C([C@]4([C@@]([C@@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])=CC1=O)[H])(CC[C@H](O)C2)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing DHCEO (CHEBI:186771) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3S,5R,9S,10R,13R,14R,17S)-3,5-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual Xrefs Databases
113385022 ChemSpider
LMST01010260 LIPID MAPS
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