calcitriol

Chemical Formula:

C₂₇H₄₄O₃

Molecular Weight:

416.643 Daltons

Monoisotopic Mass:

416.3290452787 Daltons

SMILES:

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

InChI:

1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11+/t18-,22-,23-,24+,25+,27-/m1/s1

InChIKey:

GMRQFYUYWCNGIN-DRQJEBLXSA-N

Synonyms

1,25-dihydroxyvitamin D₃
1,25-dihydroxyvitamin D3
(1S,3R,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

Databases

MetaCyc: CALCITRIOL

PubChem (CID): 5283740

Wikipedia: Calcitriol

MetaboLights: MTBLC17823

HMDB: HMDB01903

LIPID MAPS: LMST03020258

DRUGBANK: DB00136

ChEBI: 17823

KEGG: C01673

CAS: 32222-06-3

Seed: cpd01156

MetaNetX: MNXM1042