CHEBI:187508 - 25-Hydroxy-6,19-dihydro-6,19-ethanovitamin D3

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ChEBI Name 25-Hydroxy-6,19-dihydro-6,19-ethanovitamin D3
ChEBI ID CHEBI:187508
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H48O2
Net Charge 0
Average Mass 428.701
Monoisotopic Mass 428.36543
InChI InChI=1S/C29H48O2/c1-20(9-7-17-28(2,3)31)25-14-15-26-22(11-8-18-29(25,26)4)19-24-23-12-6-5-10-21(23)13-16-27(24)30/h19-20,24-27,30-31H,5-18H2,1-4H3/b22-19+/t20-,24?,25-,26+,27+,29-/m1/s1
InChIKey QFJUOTJDAYLASI-CFXULDKHSA-N
SMILES O[C@@H]1C(\C=C/2\[C@]3([C@@]([C@](CC3)([C@@H](CCCC(O)(C)C)C)[H])(CCC2)C)[H])C4=C(CC1)CCCC4
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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 25-Hydroxy-6,19-dihydro-6,19-ethanovitamin D3 (CHEBI:187508) is a vitamin D (CHEBI:27300)
IUPAC Name
(2S)-1-[(E)-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-2-ol
Manual Xrefs Databases
24823383 ChemSpider
LMST03020673 LIPID MAPS
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