CHEBI:188281 - (20S)-24-Hydroxygeminivitamin 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 (20S)-24-Hydroxygeminivitamin D3
ChEBI ID CHEBI:188281
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H54O5
Net Charge 0
Average Mass 518.779
Monoisotopic Mass 518.39712
InChI InChI=1S/C32H54O5/c1-21-24(19-25(33)20-28(21)34)12-11-22-10-8-18-32(6)26(22)14-15-27(32)23(9-7-17-30(2,3)36)13-16-29(35)31(4,5)37/h11-12,23,25-29,33-37H,1,7-10,13-20H2,2-6H3/b22-11+,24-12-/t23-,25+,26-,27+,28-,29+,32-/m0/s1
InChIKey UAKRHUPVCAWPPT-WTRXMQLZSA-N
SMILES O[C@H](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)[H])CCCC(O)(C)C)C(O)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). 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 )
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ChEBI Ontology
Outgoing (20S)-24-Hydroxygeminivitamin D3 (CHEBI:188281) is a vitamin D (CHEBI:27300)
IUPAC Name
(3R,6S)-6-[(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]-2,10-dimethylundecane-2,3,10-triol
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9401193 ChemSpider
LMST03020633 LIPID MAPS
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