calcitetrol

Chemical Formula:

C₂₇H₄₄O₄

Molecular Weight:

432.642 Daltons

Monoisotopic Mass:

432.3239599008 Daltons

SMILES:

CC(CCC(O)C(O)(C)C)[CH]1(CC[CH]2(C(CCCC(C)12)=CC=C3(CC(CC(O)C(=C)3)O)))

InChI:

1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10+/t17-,21-,22-,23+,24+,25-,27-/m1/s1

InChIKey:

WFZKUWGUJVKMHC-DRLBFNKMSA-N

Synonyms

1α,24(R),25-trihydroxyvitamin D3
1,24,25-trihydroxyvitamin D3
1,24,25-trihydroxyvitamin D₃
(24R)-24-hydroxycalcitriol
1α,24R,25(OH)3D3
1α,24R,25-trihydroxycholecalciferol
1α,24R,25-trihydroxyvitamin D3
(1S,3R,5Z,7E,24R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,24,25-tetrol

Databases

MetaCyc: CPD-10577

PubChem (CID): 73950788

MetaboLights: MTBLC47799

HMDB: HMDB06228

ChEBI: 47799

Reactome: 215622

Seed: cpd19498

MetaNetX: MNXM4500

KEGG: C18231