CHEBI:178604 - (22E)-(24S)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(24S)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 (22E)-(24S)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(24S)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
ChEBI ID CHEBI:178604
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42O4
Net Charge 0
Average Mass 430.629
Monoisotopic Mass 430.30831
InChI InChI=1S/C27H42O4/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/h8-10,13,17,21-25,28-31H,2,6-7,11-12,14-16H2,1,3-5H3/b13-8+,19-9+,20-10-/t17-,21-,22-,23+,24+,25+,27-/m1/s1
InChIKey IALMJJYXOVCTDM-CPDHDOIESA-N
SMILES O[C@@H](\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)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (22E)-(24S)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin D3 / (22E)-(24S)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol (CHEBI:178604) is a vitamin D (CHEBI:27300)
IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dihydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual Xrefs Databases
4446795 ChemSpider
LMST03020190 LIPID MAPS
View more database links