EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:44698 - 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3

Default Structure
ChEBI IDCHEBI:44698
ChEBI Name2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC30H50O5
Net Charge0
Average Mass490.725
Monoisotopic Mass490.36582
SMILES[H]OC([H])([H])C([H])([H])C([H])([H])O[C@]1([H])[C@]([H])(O[H])C(=C([H])[H])/C(=C([H])\C([H])=C2/C([H])([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23[H])C([H])([H])[C@@]1([H])O[H]
InChIInChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28+,30-/m1/s1
InChIKeyFZEXGDDBXLBRTD-VCBASKJSSA-N
ChEBI Ontology
Outgoing Relation(s)
2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3 (CHEBI:44698) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R,2S,3R,5Z,7E,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triolPDBeChem
2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3PDBeChem
Manual XrefsDatabases
LMST03020675LIPID MAPS
OCCPDBeChem