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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26N6O15P2
Molecular Weight 664.4099
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESAMIDO NAD

SMILES

NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]5=CC=CC(=C5)C([O-])=O)[C@@H](O)[C@H]3O)C2=NC=N1

InChI

InChIKey=SENPVEZBRZQVST-HISDBWNOSA-N
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)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H26N6O15P2
Molecular Weight 664.4099
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:51:18 GMT 2025
Edited
by admin
on Tue Apr 01 19:51:18 GMT 2025
Record UNII
4Y1TS06J4H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESAMIDO NAD
Common Name English
CODEHYDROGENASE I, CARBOXY DEAMIDO ANALOG
Preferred Name English
ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'->5'-ESTER WITH 3-CARBOXY-1-.BETA.-D-RIBOFURANOSYLPYRIDINIUM, INNER SALT
Systematic Name English
DESAMIDO NADIDE
Common Name English
DEAMIDODIPHOSPHOPYRIDINE NUCLEOTIDE
Common Name English
NICOTINIC ACID-ADENINE DINUCLEOTIDE
Common Name English
NICOTINATE ADENINE DINUCLEOTIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30863847
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY
CAS
6450-77-7
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY
PUBCHEM
165490
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY
FDA UNII
4Y1TS06J4H
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY