CHEBI:166752 - 25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)ether

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ChEBI Name 25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)ether
ChEBI ID CHEBI:166752
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H46O3
Net Charge 0
Average Mass 442.684
Monoisotopic Mass 442.34470
InChI InChI=1S/C29H46O3/c1-20-10-13-24(32-27-19-31-27)18-23(20)12-11-22-9-7-17-29(5)25(14-15-26(22)29)21(2)8-6-16-28(3,4)30/h11-12,21,24-27,30H,1,6-10,13-19H2,2-5H3/b22-11+,23-12-/t21-,24+,25-,26+,27?,29-/m1/s1
InChIKey ZVTCDSVEACOJSM-DVVMEBMCSA-N
SMILES OC(CCC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](OC4OC4)CCC3=C)[H])C)[H])C)(C)C
Roles Classification
Biological Role(s): fat-soluble vitamin (role)
Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
(via vitamin D )
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ChEBI Ontology
Outgoing 25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)ether (CHEBI:166752) is a vitamin D (CHEBI:27300)
IUPAC Name
(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5S)-2-methylidene-5-(oxiran-2-yloxy)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
Manual Xrefs Databases
24823367 ChemSpider
LMST03020624 LIPID MAPS
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