(Q71530982)

triphosphopyridine nucleotide (English)

inferred from isomeric SMILES

19 October 2016

743.0754523260002 dalton

1 reference

based on heuristic

chemical formula

C₂₁H₂₈N₇O₁₇P₃

1 reference

triphosphopyridine nucleotide (English)

19 October 2016

canonical SMILES

C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O)C(=O)N

1 reference

triphosphopyridine nucleotide (English)

19 October 2016

isomeric SMILES

C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O)C(=O)N

1 reference

Recon 2.2: from reconstruction to model of human metabolism

triphosphopyridine nucleotide (English)

19 October 2016

2 references

A community-driven global reconstruction of human metabolism.

Escherichia coli

7 references

A two-base mechanism for Escherichia coli ADP-L-glycero-D-manno-heptose 6-epimerase.

Metabolism of 6-aminonicotinic acid in Escherichia coli.

ENZYMATIC ACTIVITIES OF STREPTOMYCIN-DEPENDENT ESCHERICHIA COLI IN RELATION TO VALINE FORMATION

Quantification of intracellular metabolites in Escherichia coli K12 using liquid chromatographic-electrospray ionization tandem mass spectrometric techniques

Genome-wide analysis of substrate specificities of the Escherichia coli haloacid dehalogenase-like phosphatase family

From genetic footprinting to antimicrobial drug targets: examples in cofactor biosynthetic pathways

[Hydrophilic interaction liquid chromatography coupled with mass spectrometry for metabolomic analysis of Escherichia coli].

Oryza sativa

1 reference

Simultaneous determination of the main metabolites in rice leaves using capillary electrophoresis mass spectrometry and capillary electrophoresis diode array detection

Arabidopsis thaliana

1 reference

Purification and kinetic analysis of the two recombinant arogenate dehydrogenase isoforms of Arabidopsis thaliana

Caenorhabditis elegans

1 reference

Metabotyping of the C. elegans sir-2.1 mutant using in vivo labeling and (13)C-heteronuclear multidimensional NMR metabolomics

Identifiers

InChI

InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

1 reference

triphosphopyridine nucleotide (English)

19 October 2016

2 references

triphosphopyridine nucleotide (English)

19 October 2016

ChEBI release 2020-09-01

CAS Registry Number

53-59-8

1 reference

https://commonchemistry.cas.org/detail?cas_rn=53-59-8

10 April 2021

1 reference

Nicotinamide adenine dinucleotide phosphate (English)

19 October 2016

2 references

triphosphopyridine nucleotide (English)

19 October 2016

57525501

1 reference

ChEBI ID

44409

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

1 reference

SODIUM beta-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (English)

19 October 2016

2 references

inferred from InChIKey

DSSTox substance ID

DTXSID50889327

1 reference

DSSTOX compound identifier

DTXCID801028590

0 references

EC number

200-178-1

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.000.163

27 December 2018

ECHA Substance Infocard ID

Nadide phosphate (English)

quotation

CAS no.: 53-59-8 (English)

100.000.163

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.000.163

27 December 2018

AICS Chemical ID (BEING DELETED)

Nadide phosphate (English)

quotation

CAS no.: 53-59-8 (English)

1 reference

474

0 references

DrugBank ID

DB03461

1 reference

Human Metabolome Database ID

HMDB0000217

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00062083

2 references

based on heuristic

inferred from InChIKey