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CHEBI:41278 - 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3

Default Structure
ChEBI IDCHEBI:41278
ChEBI Name2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILES[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])/C(=C([H])/C([H])=C3/C(=C([H])[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])C3([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
InChIInChI=1S/C30H50O3/c1-7-10-24-27(31)19-23(21(3)28(24)32)14-13-22-12-9-18-30(6)25(15-16-26(22)30)20(2)11-8-17-29(4,5)33/h13-14,20,24-28,31-33H,3,7-12,15-19H2,1-2,4-6H3/b22-13+,23-14+/t20-,24+,25-,26+,27-,28-,30-/m1/s1
InChIKeyGMZWKFJQHMQHAO-XFJHPFOOSA-N
ChEBI Ontology
Outgoing Relation(s)
2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3 (CHEBI:41278) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1S,2S,3R,5Z,7E,14beta,17alpha)-2-propyl-9,10-secocholesta-5,7,10-triene-1,3,25-triolPDBeChem
2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3PDBeChem
Manual XrefsDatabases
C33PDBeChem