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

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ChEBI Name 23(S),25-dihydroxy-24-oxovitamin D3
ChEBI ID CHEBI:90980
ChEBI 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C27H42O4
Net Charge 0
Average Mass 430.621
Monoisotopic Mass 430.30831
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
SMILES C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@H](C)C[C@@H](C(C(C)(C)O)=O)O)[H])[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): 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.
(via vitamin D )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
23S,25-dihydroxy-24-oxocholecalciferol UniProt
24-oxo-23S,25-(OH)2D3 SUBMITTER
Registry Number Type Source
8812782 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11012668 PubMed citation SUBMITTER
8679605 PubMed citation SUBMITTER
Last Modified
06 February 2018