CHEBI:166757 - 3-epi-25-Hydroxyvitamin 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 3-epi-25-Hydroxyvitamin D3
ChEBI ID CHEBI:166757
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H44O2
Net Charge 0
Average Mass 400.647
Monoisotopic Mass 400.33413
InChI InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11-,22-12+/t20-,23-,24-,25+,27-/m1/s1
InChIKey JWUBBDSIWDLEOM-BQDJEZORSA-N
SMILES OC(CCC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C\C=C\3/C[C@H](O)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 3-epi-25-Hydroxyvitamin D3 (CHEBI:166757) is a vitamin D (CHEBI:27300)
IUPAC Name
(1R,3E)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
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1535 ChemSpider
LMST03030005 LIPID MAPS
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