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CHEBI:44591 - 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3

Default Structure
ChEBI IDCHEBI:44591
ChEBI Name2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC30H50O4
Net Charge0
Average Mass474.726
Monoisotopic Mass474.37091
SMILES[H]OC([H])([H])C([H])([H])C([H])([H])[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/C30H50O4/c1-20(9-6-16-29(3,4)34)25-14-15-26-22(10-7-17-30(25,26)5)12-13-23-19-27(32)24(11-8-18-31)28(33)21(23)2/h12-13,20,24-28,31-34H,2,6-11,14-19H2,1,3-5H3/b22-12+,23-13-/t20-,24+,25-,26+,27-,28-,30-/m1/s1
InChIKeyQOVWEUHJARWCDV-RQSRSJTKSA-N
ChEBI Ontology
Outgoing Relation(s)
2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3 (CHEBI:44591) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1S,2S,3R,5Z,7E,14beta,17alpha)-2-(3-hydroxypropyl)-9,10-secocholesta-5,7,10-triene-1,3,25-triolPDBeChem
2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3PDBeChem
Manual XrefsDatabases
LMST03020626LIPID MAPS
O1CPDBeChem