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deamido-NAD+ (CHEBI:18304)

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ChEBI Name deamido-NAD+
ChEBI ID CHEBI:18304
ChEBI ASCII Name deamido-NAD(+)
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14103, CHEBI:14104, CHEBI:4340, CHEBI:23567
Supplier Information
See structure as:  Image  Applet
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Formula Source
C21H27N6O15P2 KEGG COMPOUND
Net Charge +1
Average Mass 665.41804
InChI
InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChIKey
SENPVEZBRZQVST-HISDBWNOSA-O
SMILES
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(O)=O)[C@@H](O)[C@H]1O
Metabolite of Species Source
Isolated from Homo sapiens (NCBI:9606) DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing deamido-NAD+ (CHEBI:18304) has role human metabolite (CHEBI:77746)
deamido-NAD+ (CHEBI:18304) is a nicotinic acid dinucleotide (CHEBI:37584)
deamido-NAD+ (CHEBI:18304) is conjugate acid of deamido-NAD zwitterion (CHEBI:14105)
Incoming NAD+ (CHEBI:15846) has functional parent deamido-NAD+ (CHEBI:18304)
deamido-NAD zwitterion (CHEBI:14105) is conjugate base of deamido-NAD+ (CHEBI:18304)
IUPAC Name
adenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}
Synonyms Sources
Deamido-NAD KEGG COMPOUND
Deamido-NAD+ KEGG COMPOUND
Deamino-NAD+ KEGG COMPOUND
Database Links Databases
C00857 KEGG COMPOUND
DB04099 DrugBank
NXX PDBeChem
View more database links
Last Modified
28 July 2014

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