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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1α,25-dihydroxy-2β-(1,3-dihydroxypropoxy)vitamin D3
ChEBI ID CHEBI:146141
ChEBI ASCII Name 1alpha,25-dihydroxy-2beta-(1,3-dihydroxypropoxy)vitamin D3
Stars This entity has been manually annotated by a third party.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C30H50O6
Net Charge 0
Average Mass 506.724
Monoisotopic Mass 506.36074
InChI InChI=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
InChIKey GZDPNQKGISMNTG-RCDUEGHXSA-N
SMILES C1[C@]2([C@](/C(=C/C=C/3\C([C@H]([C@@H]([C@@H](C3)O)OC(CCO)O)O)=C)/CC1)(CC[C@@]2([C@H](C)CCCC(C)(C)O)[H])[H])C
ChEBI Ontology
Outgoing 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)
Synonym Source
1α,25-dihydroxy-2β-(1,3-dihydroxypropoxy)-cholecalciferol UniProt
Citation Waiting for Citations Type Source
26038696 PubMed citation SUBMITTER
Last Modified
11 February 2020