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CHEBI:191921 - 3'-O-Aminopropyl-25-hydroxyvitamin D3

ChEBI IDCHEBI:191921
ChEBI Name3'-O-Aminopropyl-25-hydroxyvitamin D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H51NO2
Net Charge0
Average Mass457.743
Monoisotopic Mass457.39198
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](OCCCN)CCC1=C
InChIInChI=1S/C30H51NO2/c1-22-11-14-26(33-20-8-19-31)21-25(22)13-12-24-10-7-18-30(5)27(15-16-28(24)30)23(2)9-6-17-29(3,4)32/h12-13,23,26-28,32H,1,6-11,14-21,31H2,2-5H3/b24-12+,25-13-/t23-,26+,27-,28+,30-/m1/s1
InChIKeyRAIPMHBURQASRR-BAUWAPLESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS4638)
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)
3'-O-Aminopropyl-25-hydroxyvitamin D3 (CHEBI:191921) is a vitamin D (CHEBI:27300)
IUPAC Name 
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-(3-aminopropoxy)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
Manual XrefsDatabases
LMST03020684LIPID MAPS
24823391ChemSpider