CHEBI:173161 - 1alpha-Hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid

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ChEBI Name 1alpha-Hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid
ChEBI ID CHEBI:173161
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H36O4
Net Charge 0
Average Mass 388.548
Monoisotopic Mass 388.26136
InChI InChI=1S/C24H36O4/c1-15(6-11-23(27)28)20-9-10-21-17(5-4-12-24(20,21)3)7-8-18-13-19(25)14-22(26)16(18)2/h7-8,15,19-22,25-26H,2,4-6,9-14H2,1,3H3,(H,27,28)/b17-7+,18-8-/t15-,19-,20-,21+,22+,24-/m1/s1
InChIKey OOUYRLBHGAIYSC-JIOPYBTOSA-N
SMILES OC(=O)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])C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in feces (BTO:0000440). of strain [] 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 1alpha-Hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid (CHEBI:173161) is a vitamin D (CHEBI:27300)
IUPAC Name
(4R)-4-[(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]pentanoic acid
Manual Xrefs Databases
7826222 ChemSpider
LMST03020022 LIPID MAPS
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