CHEBI:187585 - 3-Deoxy-3-azido-25-hydroxyvitamin D3

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ChEBI Name 3-Deoxy-3-azido-25-hydroxyvitamin D3
ChEBI ID CHEBI:187585
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H43N3O
Net Charge 0
Average Mass 425.661
Monoisotopic Mass 425.34061
InChI InChI=1S/C27H43N3O/c1-19-10-13-23(29-30-28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)31/h11-12,20,23-25,31H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23-,24+,25+,27-/m1/s1
InChIKey XSCCVONAMAFUQP-LQHRJJHOSA-N
SMILES OC(CCC[C@H]([C@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@H](N=[N+]=[N-])CCC3=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-Deoxy-3-azido-25-hydroxyvitamin D3 (CHEBI:187585) is a vitamin D (CHEBI:27300)
IUPAC Name
(6R)-6-[(1S,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-azido-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
Manual Xref Database
4943594 ChemSpider
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Registry Number Type Source
108345-00-2 CAS Registry Number ChemIDplus