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CHEBI:172685 - 6-Deoxodolichosterone

ChEBI IDCHEBI:172685
ChEBI Name6-Deoxodolichosterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O4
Net Charge0
Average Mass448.688
Monoisotopic Mass448.35526
SMILESC=C(C(C)C)C(O)C(O)C(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C
InChIInChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15,17-26,29-32H,3,7-14H2,1-2,4-6H3
InChIKeyYCYJLHFHRKUCQX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-Deoxodolichosterone (CHEBI:172685) is a bile acid (CHEBI:3098)
IUPAC Name 
17-(3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
Manual XrefsDatabases
HMDB0034332HMDB