calcidiol

Chemical Formula:

C₂₇H₄₄O₂

Molecular Weight:

400.643 Daltons

Monoisotopic Mass:

400.3341306566 Daltons

SMILES:

C=C1(CCC(O)CC1=CC=C2(CCCC3(C)([CH](C(CCCC(O)(C)C)C)CC[CH]23)))

InChI:

1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12+/t20-,23+,24-,25+,27-/m1/s1

InChIKey:

JWUBBDSIWDLEOM-WIFPIRAHSA-N

Synonyms

25-hydroxyvitamin D3
calcifediol
calcifediol anhydrous
calderol (tn)
25-hydroxyvitamin D₃
(3S,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol

Databases

MetaCyc: CALCIDIOL

ChEBI: 17933

PubChem (CID): 6506392

MetaboLights: MTBLC17933

HMDB: HMDB03550

KEGG: C01561

CAS: 19356-17-3

Seed: cpd01099

MetaNetX: MNXM812