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CHEBI:185599 - 1alpha,25-Dihydroxy-2Z-ethylidene-19-norvitamin D3

ChEBI IDCHEBI:185599
ChEBI Name1alpha,25-Dihydroxy-2Z-ethylidene-19-norvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1C[C@@H](O)C(=CC)[C@H](O)C1
InChIInChI=1S/C28H46O3/c1-6-22-25(29)17-20(18-26(22)30)11-12-21-10-8-16-28(5)23(13-14-24(21)28)19(2)9-7-15-27(3,4)31/h6,11-12,19,23-26,29-31H,7-10,13-18H2,1-5H3/b20-11-,21-12+,22-6+/t19-,23-,24+,25-,26-,28-/m1/s1
InChIKeySUUQQKHQTOSJCI-RPVLRPLJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
1alpha,25-Dihydroxy-2Z-ethylidene-19-norvitamin D3 (CHEBI:185599) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1R,3R)-5-[(2E)-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]-2-ethylidenecyclohexane-1,3-diol
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