CHEBI:188276 - 3beta,23S,25-dihydroxyvitamin D3

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ChEBI Name 3beta,23S,25-dihydroxyvitamin D3
ChEBI ID CHEBI:188276
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H44O3
Net Charge 0
Average Mass 416.646
Monoisotopic Mass 416.32905
InChI InChI=1S/C27H44O3/c1-18-8-11-22(28)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-23(29)17-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9+,21-10-/t19-,22-,23+,24-,25+,27-/m1/s1
InChIKey JVBPQHSRTHJMLM-VCAQAZSGSA-N
SMILES O[C@@H](C[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@H](O)CCC3=C)[H])C)[H])C)CC(O)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
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 3beta,23S,25-dihydroxyvitamin D3 (CHEBI:188276) is a vitamin D (CHEBI:27300)
IUPAC Name
(4S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,4-diol
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24850114 ChemSpider
LMST03020689 LIPID MAPS
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