UCSF

ZINC85427559

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2013 48 No

CAS Numbers: 1184-16-3 , 53-59-8

Other Names:

1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1$l^{5}-pyridin-1-ylium

53-59-8; C00006; NADP; NADP+; Nicotinamide adenine dinucleotide phosphate; TPN; Triphosphopyridine nucleotide; beta-Nicotinamide adenine dinucleotide phosphate

53-59-8; NADP; NADP(+); NADP+; NADP-ox; NADP-oxidized; TPN; TPN+; TPN-ox; coenzyme II; nicotinamide adenine dinucleotide phosphate; nicotinamide adenine dinucleotide-P; triphosphopyridine nucleotide

Adenine-nicotinamide dinucleotide phosphate; b-NADP; b-Nicotinamide adenine dinucleotide phosphate; b-TPN; beta-NADP; beta-nicotinamide adenine dinucleotide phosphate; beta-TPN; Codehydrase II; Codehydrogenase II; Coenzyme II; Cozymase II; NAD phosphate

Adenine-nicotinamide dinucleotide phosphate; Codehydrase II; Codehydrogenase II; Coenzyme II; Cozymase II; NAD phosphate; NADP; NADP+; Nicotinamide adenine dinucleotide phosphate; Nicotinamide-adenine dinucleotide phosphate; TPN; Triphosphopyridine nucleo

Adenine-nicotinamide dinucleotide phosphate;Codehydrase II;Codehydrogenase II;Coenzyme II;Cozymase II;NAD phosphate;NADP;NADP+;Nicotinamide adenine dinucleotide phosphate;Nicotinamide-adenine dinucleotide phosphate;TPN;Triphosphopyridine nucleotide;b-NADP

Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'->'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt; Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 3-(aminocarbo

CHEBI:13398; CHEBI:21903; CHEBI:7424; CHEBI:29868

LS-187075

LS-187683

NADP (sodium salt)

NADP trianion; NADP(+)

NADP(+)

NADP(3-)

oxidized nicotinamide-adenine dinucleotide phosphate

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.70 -4.18 -302.95 7 24 -3 376 740.385 13
Mid Mid (pH 6-8) -5.70 -5.33 -194.11 8 24 -2 373 741.393 13
Mid Mid (pH 6-8) -5.67 -7.47 -188.06 8 24 -2 374 741.393 13

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 10HGO_CATRO; 12AH_CLOS4; 25KD_SARPE; 3BHD_COMTE; 3BHS3_MESAU; 3BHS4_MOUSE; 3BHS5_MOUSE; 3BHS5_RAT; 3HBH1_PSEAC; 3HBH_KLEOX; 3HBH_POLNA; 5BPOR_DIGLA; 5NTD_HAEIN; 6DCS_SOYBN; 6GPD3_ARATH; 6PGD1_ARATH; 6PGD1_ORYSJ; 6PGD1_SPIOL; 6PGD1_YEAST; 6PGD2_ARATH; 6PGD ChEBI
UniProt Database Links 10HGO_CATRO; 12AH_CLOS4; 3BHD_COMTE; 3BHS3_MESAU; 3BHS4_MOUSE; 3BHS5_MOUSE; 3BHS5_RAT; 5BPOR_DIGLA; 6DCS_SOYBN; 6GPD3_ARATH; 6PGD1_ARATH; 6PGD1_ORYSJ; 6PGD1_SPIOL; 6PGD1_YEAST; 6PGD2_ARATH; 6PGD2_ORYSJ; 6PGD2_SPIOL; 6PGD2_YEAST; 6PGD9_ECOLX; 6PGD_AGGAC; 6 ChEBI
Reactome Database Links REACT_10001; REACT_10005; REACT_10006; REACT_10008; REACT_10009; REACT_10013; REACT_10016; REACT_10018; REACT_10025; REACT_10026; REACT_10028; REACT_10029; REACT_10030; REACT_10032; REACT_10035; REACT_10036; REACT_10037; REACT_10038; REACT_10042; REACT_10 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Abnormal conversion of 2-oxoglutarate to 2-hydroxyglutarate
Aflatoxin activation and detoxification
alpha-linolenic acid (ALA) metabolism
Amino acid synthesis and interconversion (transamination)
Androgen biosynthesis
Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2
Cell redox homeostasis
Cholesterol biosynthesis
Chorismate via Shikimate Pathway
Citric acid cycle (TCA cycle)
Cobalamin (Cbl, vitamin B12) transport and metabolism
Cross-presentation of particulate exogenous antigens (phagosomes)
CYP2E1 reactions
Cytosolic iron-sulfur cluster assembly
Detoxification of Reactive Oxygen Species
Eicosanoids
Electron transport from NADPH to Ferredoxin
Endogenous sterols
eNOS activation
Estrogen biosynthesis
Fatty acids
Fatty Acyl-CoA Biosynthesis
FMO oxidizes nucleophiles
Glucocorticoid biosynthesis
Glyoxylate metabolism
Heme degradation
Iron uptake and transport
Linoleic acid (LA) metabolism
Lysine catabolism
Metabolism of folate and pterines
Methylation
Mineralocorticoid biosynthesis
Miscellaneous substrates
Mtb iron assimilation by chelation
Mycothiol metabolism
NADPH regeneration
Nicotinate metabolism
Nitric oxide stimulates guanylate cyclase
Pentose phosphate pathway (hexose monophosphate shunt)
Phagosomal maturation (early endosomal stage)
Plasmalogen biosynthesis
Pregnenolone biosynthesis
Purine salvage
Pyrimidine catabolism
Regulation of thyroid hormone activity
Retinoid metabolism and transport
Sphingolipid de novo biosynthesis
Sphingolipid metabolism
Sterols are 12-hydroxylated by CYP8B1
Synthesis and interconversion of nucleotide di- and triphosphates
Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE)
Synthesis of 15-eicosatetraenoic acid derivatives
Synthesis of 5-eicosatetraenoic acids
Synthesis of bile acids and bile salts
Synthesis of bile acids and bile salts via 24-hydroxycholesterol
Synthesis of bile acids and bile salts via 27-hydroxycholesterol
Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol
Synthesis of Dolichyl-phosphate
Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET)
Synthesis of Leukotrienes (LT) and Eoxins (EX)
Synthesis of Lipoxins (LX)
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)
Synthesis of very long-chain fatty acyl-CoAs
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
The canonical retinoid cycle in rods (twilight vision)
The retinoid cycle in cones (daylight vision)
Thyroxine biosynthesis
Tryptophan catabolism
Ubiquinol biosynthesis
VEGFA-VEGFR2 Pathway
VEGFR2 mediated vascular permeability
Vitamin D (calciferol) metabolism
Vitamins
Xenobiotics

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.