UCSF

ZINC04228234

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 27 No

Popular Name: Adenosine 3',5'-diphosphate Adenosine 3',5'-diphosphate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1053-73-2 , 75431-54-8

Other Names:

1053-73-2; 3',5'-ADP; 3-5-ADP; PAP; adenosine 3',5'-bisphosphate; adenosine-3',5'-bisphosphate; phosphoadenosine phosphate

1053-73-2; 3'-Phosphoadenylate; Adenosine 3',5'-bisphosphate; C00054; PAP; Phosphoadenosine phosphate

3',5'-di-O-phosphonatoadenosine; adenosine 3',5'-bismonophosphate; adenosine 3',5'-bismonophosphate tetraanion; adenosine 3',5'-bisphosphate

3'-Phosphoryl-AMP; 3,5-ADP; 3,5-Diphosphoadenosine; 3-Phosphoadenosine 5-phosphate; 5-(Dihydrogen phosphate) 3-Adenylate; 5-(Dihydrogen phosphate)3'-Adenylic acid; Adenosine 3',5'-bisphosphate; Adenosine 3,5-bis; Adenosine 3,5-bisphosphate

3'-Phosphoryl-AMP; 3,5-ADP; 3,5-Diphosphoadenosine; 3-Phosphoadenosine 5-phosphate; 5-(dihydrogen phosphate) 3-Adenylate; 5-(dihydrogen phosphate)3'-Adenylic acid; adenosine 3',5'-bisphosphate; Adenosine 3,5-bis; Adenosine 3,5-bisphosphate; Adenosine 3,5-

3'-Phosphoryl-AMP;3,5-ADP;3,5-Diphosphoadenosine;3-Phosphoadenosine 5-phosphate;5-(Dihydrogen phosphate) 3-Adenylate;5-(Dihydrogen phosphate)3'-Adenylic acid;Adenosine 3',5'-bisphosphate;Adenosine 3,5-bis;Adenosine 3,5-bisphosphate

3-Phosphoadenosine 5-phosphate; 3,5-ADP; 3,5-Diphosphoadenosine; 3'-Phosphoryl-AMP; 5-(dihydrogen phosphate) 3-Adenylate; 5-(dihydrogen phosphate)3'-Adenylic acid; Adenosine 3,5-bis; Adenosine 3,5-bisphosphate; Adenosine 3,5-diphosphic acid; adenosine 3',

adenosine 3',5'-bismonophosphate

adenosine 3',5'-bismonophosphate(4-)

Adenosine 3',5'-diphosphate sodium salt

CHEBI:2475; CHEBI:13735; CHEBI:22240

MFCD00057007

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxyphosphonic acid

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) -3.14 -1.03 -344.41 3 15 -4 244 423.171 6 ↓
Mid Mid (pH 6-8) -3.14 -2.18 -218.02 4 15 -3 241 424.179 6 ↓
Lo Low (pH 4.5-6) -3.14 -3.33 -107.39 5 15 -2 238 425.187 6 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ACPS2_ECO57; ACPS_ACHLI; ACPS_ACICJ; ACPS_ACIET; ACPS_ACIF2; ACPS_ACIF5; ACPS_ACISJ; ACPS_AGRRK; ACPS_AGRT5; ACPS_ALISL; ACPS_ALKEH; ACPS_ALKMQ; ACPS_ALKOO; ACPS_ALTMD; ACPS_ANAD2; ACPS_ANADE; ACPS_ANADF; ACPS_ANAMF; ACPS_ANAMM; ACPS_ANAPZ; ACPS_ANASK; AC ChEBI
PUBCHEM_PATENT_ID EP0192315A1; EP0857783A3; US4855304; US5741668; US5773274; US5965419 IBM Patent Data
Reactome Database Links REACT_11175; REACT_115577; REACT_120725; REACT_120741; REACT_120811; REACT_120839; REACT_120849; REACT_120903; REACT_120904; REACT_120932; REACT_120940; REACT_121270; REACT_121283; REACT_121317; REACT_6722; REACT_6740; REACT_6763; REACT_6765; REACT_6770 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Chondroitin sulfate biosynthesis
Cytosolic sulfonation of small molecules
Dermatan sulfate biosynthesis
HS-GAG biosynthesis
Keratan sulfate biosynthesis
Vitamin B5 (pantothenate) metabolism

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