CHEBI:191263 - 25-azavitamin D3

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ChEBI Name 25-azavitamin D3
ChEBI ID CHEBI:191263
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H43NO
Net Charge 0
Average Mass 385.636
Monoisotopic Mass 385.33447
InChI InChI=1S/C26H43NO/c1-19-10-13-23(28)18-22(19)12-11-21-9-6-16-26(3)24(14-15-25(21)26)20(2)8-7-17-27(4)5/h11-12,20,23-25,28H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23-,24-,25+,26-/m1/s1
InChIKey ULNCGRJUZSDCCI-SHLFXTCDSA-N
SMILES O[C@H]1C\C(=C\C=C/2\[C@]3([C@@]([C@](CC3)([C@@H](CCCN(C)C)C)[H])(CCC2)C)[H])\C(CC1)=C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in hTERT-RPE1 cell (BTO:0004790). 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 25-azavitamin D3 (CHEBI:191263) is a vitamin D (CHEBI:27300)
IUPAC Name
(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5-(dimethylamino)pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Manual Xref Database
4947568 ChemSpider
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Registry Number Type Source
63819-61-4 CAS Registry Number ChemIDplus