CHEBI:183817 - alpha-Nicotinamide Adenine Dinucleotide

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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 alpha-Nicotinamide Adenine Dinucleotide
ChEBI ID CHEBI:183817
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H27N7O14P2
Net Charge 0
Average Mass 663.430
Monoisotopic Mass 663.10912
InChI InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1
InChIKey BAWFJGJZGIEFAR-OPDHFMQKSA-N
SMILES P(OC[C@H]1O[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@H](O)[C@@H]1O)(OP(OC[C@H]4O[C@H]([N+]=5C=C(C=CC5)C(=O)N)[C@H](O)[C@@H]4O)([O-])=O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). of strain C57BL [EFO:0005181] See: MetaboLights Study
ChEBI Ontology
Outgoing alpha-Nicotinamide Adenine Dinucleotide (CHEBI:183817) is a dinucleotide (CHEBI:47885)
IUPAC Name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Manual Xrefs Databases
17347086 ChemSpider
8NA PDBeChem
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