U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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=NC=NC2=C1N=CN2[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

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

Approval Year

Name Type Language
DESAMIDO NAD
Common 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
CODEHYDROGENASE I, CARBOXY DEAMIDO ANALOG
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30863847
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY
CAS
6450-77-7
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY
PUBCHEM
165490
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY
FDA UNII
4Y1TS06J4H
Created by admin on Sat Dec 16 12:50:57 GMT 2023 , Edited by admin on Sat Dec 16 12:50:57 GMT 2023
PRIMARY