23(S),25-dihydroxy-24-oxovitamin D3 (CHEBI:90980)

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CHEBI:90980 - 23(S),25-dihydroxy-24-oxovitamin D₃

ChEBI ID	CHEBI:90980
ChEBI Name	23(S),25-dihydroxy-24-oxovitamin D₃
Stars
ASCII Name	23(S),25-dihydroxy-24-oxovitamin D3
Definition	A hydroxycalciol that is 25-hydroxyvitamin D₃ carrying an additional hydroxy group at position 23 (with 23S-configuration) and an oxo group at position 24. An intermediate in the degradation pathway of 25-OH-vitamin D₃.
Last Modified	6 February 2018
Submitter	nhn
Downloads	Molfile

Formula	C27H42O4
Net Charge	0
Average Mass	430.629
Monoisotopic Mass	430.30831
SMILES	[H][C@@]12CC[C@]([H])([C@H](C)C[C@H](O)C(=O)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChI	InChI=1S/C27H42O4/c1-17-8-11-21(28)16-20(17)10-9-19-7-6-14-27(5)22(12-13-23(19)27)18(2)15-24(29)25(30)26(3,4)31/h9-10,18,21-24,28-29,31H,1,6-8,11-16H2,2-5H3/b19-9+,20-10-/t18-,21+,22-,23+,24+,27-/m1/s1
InChIKey	LYVJVKJTSXESPC-JDHDJSQBSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	PubMed (11012668)

Roles Classification

Biological Roles:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

fat-soluble vitamin (role) Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.

ChEBI Ontology

Outgoing Relation(s)
	23(S),25-dihydroxy-24-oxovitamin D₃ (CHEBI:90980) has role human metabolite (CHEBI:77746)
	23(S),25-dihydroxy-24-oxovitamin D₃ (CHEBI:90980) is a D₃ vitamins (CHEBI:73558)
	23(S),25-dihydroxy-24-oxovitamin D₃ (CHEBI:90980) is a hydroxycalciol (CHEBI:47042)
	23(S),25-dihydroxy-24-oxovitamin D₃ (CHEBI:90980) is a oxocalciol (CHEBI:47806)
	23(S),25-dihydroxy-24-oxovitamin D₃ (CHEBI:90980) is a secondary α-hydroxy ketone (CHEBI:2468)
	23(S),25-dihydroxy-24-oxovitamin D₃ (CHEBI:90980) is a tertiary α-hydroxy ketone (CHEBI:139592)
	23(S),25-dihydroxy-24-oxovitamin D₃ (CHEBI:90980) is a triol (CHEBI:27136)

IUPAC Name
(3S,5Z,7E,23S)-3,23,25-trihydroxy-9,10-secocholesta-5,7,10-trien-24-one

Synonym	Source
24-oxo-23S,25-(OH)2D3	SUBMITTER

UniProt Name	Source
23S,25-dihydroxy-24-oxocholecalciferol	UniProt

Registry Numbers	Sources
Reaxys:8812782	Reaxys

Citations

CHEBI:90980 - 23(S),25-dihydroxy-24-oxovitamin D3

CHEBI:90980 - 23(S),25-dihydroxy-24-oxovitamin D₃