CHEBI:78701 - (5α)-3-oxocholestan-26-oic acid

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ChEBI Name (5α)-3-oxocholestan-26-oic acid
ChEBI ID CHEBI:78701
ChEBI ASCII Name (5alpha)-3-oxocholestan-26-oic acid
Definition A cholestanoid that is (5α)-cholestan-26-oic acid in which the hydrogens at position 3 are replaced by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O3
Net Charge 0
Average Mass 416.63650
Monoisotopic Mass 416.32905
InChI InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h17-19,21-24H,5-16H2,1-4H3,(H,29,30)/t17-,18?,19+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey VJABJEQGFJMMDO-DHOKGTGGSA-N
SMILES C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): hormone
Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
(via steroid hormone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (5α)-3-oxocholestan-26-oic acid (CHEBI:78701) is a 3-oxo-5α-steroid (CHEBI:13601)
(5α)-3-oxocholestan-26-oic acid (CHEBI:78701) is a cholestanoid (CHEBI:50401)
(5α)-3-oxocholestan-26-oic acid (CHEBI:78701) is a dafachronic acids (CHEBI:78698)
Incoming (5α,25S)-3-oxocholestan-26-oic acid (CHEBI:71607) is a (5α)-3-oxocholestan-26-oic acid (CHEBI:78701)
IUPAC Name
(5α)-3-oxocholestan-26-oic acid
Synonyms Sources
3-oxo-5α-cholestan-26-oic acid ChEBI
dafachronic acid ChEBI
Last Modified
28 March 2017