CHEBI:156186 - 1,25-Dihydroxy-24-oxo-16-ene-vitamin D3

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1,25-Dihydroxy-24-oxo-16-ene-vitamin D3
ChEBI ID CHEBI:156186
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C27H40O4
Net Charge 0
Average Mass 428.613
Monoisotopic Mass 428.29266
InChI InChI=1S/C27H40O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-11,17,21,23-24,28-29,31H,2,6-8,12-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,23+,24+,27-/m1/s1
InChIKey OBBXJSBOXKFENG-KTCSXPHBSA-N
SMILES O=C(CC[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)C)C(O)(C)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 1,25-Dihydroxy-24-oxo-16-ene-vitamin D3 (CHEBI:156186) is a vitamin D (CHEBI:27300)
IUPAC Name
(6R)-6-[(3aS,4E,7aS)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-2-hydroxy-2-methylheptan-3-one
Manual Xref Database
LMST03020608 LIPID MAPS
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