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

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ChEBI Name 1alpha,25-Dihydroxy-2Z-ethylidene-19-norvitamin D3
ChEBI ID CHEBI:185599
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H46O3
Net Charge 0
Average Mass 430.673
Monoisotopic Mass 430.34470
InChI InChI=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
InChIKey SUUQQKHQTOSJCI-RPVLRPLJSA-N
SMILES OC(CCC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3\C[C@@H](O)/C(/[C@H](O)C3)=C/C)[H])C)[H])C)(C)C
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 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
Manual Xref Database
LMST03020629 LIPID MAPS
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