CHEBI:179142 - 1alpha,25-dihydroxy-24-oxo-23-azavitamin D2 / 1alpha,25-dihydroxy-24-oxo-23-azaergocalciferol

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ChEBI Name 1alpha,25-dihydroxy-24-oxo-23-azavitamin D2 / 1alpha,25-dihydroxy-24-oxo-23-azaergocalciferol
ChEBI ID CHEBI:179142
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H43NO4
Net Charge 0
Average Mass 445.644
Monoisotopic Mass 445.31921
InChI InChI=1S/C27H43NO4/c1-16-20(14-21(29)15-24(16)30)10-9-19-8-7-13-27(6)22(11-12-23(19)27)17(2)25(31)28-18(3)26(4,5)32/h9-10,17-18,21-24,29-30,32H,1,7-8,11-15H2,2-6H3,(H,28,31)/b19-9+,20-10-/t17-,18+,21+,22+,23-,24-,27+/m0/s1
InChIKey ZIGSRBCVYAJTAZ-MGLBYPHHSA-N
SMILES O=C(N[C@@H](C(O)(C)C)C)[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)[H])C)[H])C
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-24-oxo-23-azavitamin D2 / 1alpha,25-dihydroxy-24-oxo-23-azaergocalciferol (CHEBI:179142) is a vitamin D (CHEBI:27300)
IUPAC Name
(2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]propanamide
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