vitamin D3

vitamin D<SUB>3</SUB>




Chemical Formula:
C27H44O
Molecular Weight:
384.644 Daltons
Monoisotopic Mass:
384.3392160345 Daltons
SMILES:
CC(C)CCCC(C)[CH]1(CC[CH]2(C(CCCC(C)12)=CC=C3(CC(CCC(=C)3)O)))
InChI:
1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+/t21-,24+,25-,26+,27-/m1/s1
InChIKey:
QYSXJUFSXHHAJI-FVUVGDFOSA-N

Synonyms
  • cholecalciferol
  • calciol

Databases
MetaCyc:  VITAMIN_D3
PubChem (CID):  5283711
MetaboLights:  MTBLC28940
HMDB:  HMDB14315
LIPID MAPS:  LMST03020001
DRUGBANK:  DB00169
KEGG:  C05443
ChEBI:  28940
CAS:  67-97-0
MediaDB:  compounds/4255/
Reactome:  209762
Seed:  cpd03226
MetaNetX:  MNXM1320
3DMET:  B01885