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CHEBI:146141 - 1α,25-dihydroxy-2β-(1,3-dihydroxypropoxy)vitamin D3

ChEBI IDCHEBI:146141
ChEBI Name1α,25-dihydroxy-2β-(1,3-dihydroxypropoxy)vitamin D3
Stars
ASCII Name1alpha,25-dihydroxy-2beta-(1,3-dihydroxypropoxy)vitamin D3
Last Modified11 February 2020
Submitterlaimo
DownloadsMolfile
FormulaC30H50O6
Net Charge0
Average Mass506.724
Monoisotopic Mass506.36074
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)[C@@H](OC(O)CCO)[C@H](O)C1=C
InChIInChI=1S/C30H50O6/c1-19(8-6-15-29(3,4)35)23-12-13-24-21(9-7-16-30(23,24)5)10-11-22-18-25(32)28(27(34)20(22)2)36-26(33)14-17-31/h10-11,19,23-28,31-35H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23-,24+,25-,26?,27-,28-,30-/m1/s1
InChIKeyGZDPNQKGISMNTG-RCDUEGHXSA-N
ChEBI Ontology
Outgoing Relation(s)
1α,25-dihydroxy-2β-(1,3-dihydroxypropoxy)vitamin D3 (CHEBI:146141) has functional parent 1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3 (CHEBI:73927)
1α,25-dihydroxy-2β-(1,3-dihydroxypropoxy)vitamin D3 (CHEBI:146141) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
1α,25-dihydroxy-2β-(1,3-dihydroxypropoxy)-cholecalciferolUniProt
Citations