nicotinate adenine dinucleotide

Chemical Formula:

C₂₁H₂₄N₆O₁₅P₂

Molecular Weight:

662.399 Daltons

Monoisotopic Mass:

665.1009622494 Daltons

SMILES:

C1(C(=CC=C[N+]=1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C([O-])=O)

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-2/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

InChIKey:

SENPVEZBRZQVST-HISDBWNOSA-L

Synonyms

deamino-NAD+
NaADN
deamido-NAD⁺
deamidonicotinamide adenine dinucleoetide
deamido-NAD
NaAD

Databases

MetaCyc: DEAMIDO-NAD

BiGG: dnad

PubChem (CID): 45266646

HMDB: HMDB01179

ChEBI: 58437

DRUGBANK: DB04099

KEGG: C00857

CAS: 6450-77-7

Seed: cpd00638

MetaNetX: MNXM309