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CHEBI:188107 - (20S)-24-Hydroxy-19-norgeminivitamin D3

ChEBI IDCHEBI:188107
ChEBI Name(20S)-24-Hydroxy-19-norgeminivitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H54O5
Net Charge0
Average Mass506.768
Monoisotopic Mass506.39712
SMILES[H][C@@]12CC[C@]([H])([C@@H](CCCC(C)(C)O)CC[C@@H](O)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1C[C@@H](O)C[C@H](O)C1
InChIInChI=1S/C31H54O5/c1-29(2,35)16-6-8-23(12-15-28(34)30(3,4)36)27-14-13-26-22(9-7-17-31(26,27)5)11-10-21-18-24(32)20-25(33)19-21/h10-11,23-28,32-36H,6-9,12-20H2,1-5H3/b22-11+/t23-,24+,25+,26-,27+,28+,31-/m0/s1
InChIKeyDPFVGAAKUUYVQT-MADAENOKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
(20S)-24-Hydroxy-19-norgeminivitamin D3 (CHEBI:188107) is a vitamin D (CHEBI:27300)
IUPAC Name 
(3R,6S)-6-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethylundecane-2,3,10-triol
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