CHEBI:191921 - 3'-O-Aminopropyl-25-hydroxyvitamin 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 3'-O-Aminopropyl-25-hydroxyvitamin D3
ChEBI ID CHEBI:191921
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H51NO2
Net Charge 0
Average Mass 457.743
Monoisotopic Mass 457.39198
InChI InChI=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
InChIKey RAIPMHBURQASRR-BAUWAPLESA-N
SMILES OC(CCC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](OCCCN)CCC3=C)[H])C)[H])C)(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in blood serum (BTO:0000133). 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 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 Xrefs Databases
24823391 ChemSpider
LMST03020684 LIPID MAPS
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