UCSF

ZINC12494889

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 31 No

Popular Name: Phosphoadenosine phosphosulfate Phosphoadenosine phosphosulfate

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CAS Numbers: 109434-21-1 , 482-67-7

Other Names:

3'-Adenylic acid, 5'-(dihydrogen phosphate), 5'-anhydride with sulfuric acid; 3'-Phosphoadenosine-5'-phosphosulfate; 3'-Phosphoadenylyl sulfate; 3-Phosphoadenosine 5'-phosphosulfate; APS; Adenosine, 3',5'-bis(dihydrogen phosphate), 5'-monoanhydride with s

3'-phospho-5'-adenylyl sulfate

3'-Phospho-5'-adenylyl sulfate; 3'-Phosphoadenosine 5'-phosphosulfate; 3'-Phosphoadenosine-5'-phosphosulfate; 3'-Phosphoadenylyl sulfate; 3'-Phosphoadenylyl-sulfate; 5-Phosphoadenosine 3-phosphosulfate; PAPS; Phosphoadenosine Phosphosulfate; 3'-Phospho-5'

3'-Phospho-5'-adenylyl sulfate; 3'-Phosphoadenosine 5'-phosphosulfate; 3'-phosphoadenosine-5'-phosphosulfate; 3'-Phosphoadenylyl sulfate; 3'-phosphoadenylyl-sulfate; 5-phosphoadenosine 3-phosphosulfate; PAPS; Phosphoadenosine Phosphosulfate; Phosphoadenos

3'-Phospho-5'-adenylyl sulfate; 3'-Phosphoadenosine 5'-phosphosulfate; 3'-Phosphoadenylyl sulfate; 482-67-7; C00053; PAPS

3'-phospho-5'-adenylyl sulfate; 3'-phosphoadenosine-5'-phosphosulfate; 3'-phosphoadenylyl-sulfate; 482-67-7; PAPS; phosphoadenosine phosphosulfate; phosphoadenosine-5'-phosphosulfate

3'-Phospho-5'-adenylyl sulfate;3'-Phospho-5'-adenylyl sulphate;3'-Phosphoadenosine 5'-phosphosulfate;3'-Phosphoadenosine 5'-phosphosulphate;3'-Phosphoadenosine-5'-phosphosulfate;3'-Phosphoadenosine-5'-phosphosulphate;3'-Phosphoadenylyl sulfate;3'-Phosphoa

3'-Phospho-5'-adenylyl sulfate;3'-Phosphoadenosine 5'-phosphosulfate;3'-Phosphoadenosine-5'-phosphosulfate;3'-Phosphoadenylyl sulfate;3'-Phosphoadenylyl-sulfate;5-Phosphoadenosine 3-phosphosulfate;PAPS;Phosphoadenosine Phosphosulfate;3'-Phospho-5'-adenyly

3'-phosphoadenosine-5'-phosphosulfate; 3'-phosphonato-5'-adenylyl sulfate; 3'-phosphonato-5'-adenylyl sulfate tetraanion; 3'-phosphonatoadenosine 5'-phosphosulfate; 3'-phosphonatoadenosine 5'-phosphosulfate tetraanion; 3'-phosphonatoadenosine 5'-phosphosu

3'-phosphonato-5'-adenylyl sulfate(4-)

ADENOSINE 3-PHOSPHATE 5-PHOSPHOSULFATELITHIUM

ADENOSINE3'-PHOSPHATE5'-PHOSPHOSULFATELITHIUM

CHEBI:11679; CHEBI:11680; CHEBI:19857; CHEBI:1353

{[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxysulfonic 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) -5.03 -3.34 -316.55 3 18 -4 287 503.235 8 ↓
Mid Mid (pH 6-8) -5.03 -4.48 -192.96 4 18 -3 284 504.243 8 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links APK1_ARATH; APK2_ARATH; APK3_ARATH; APK4_ARATH; APR1_ARATH; APR2_ARATH; APR3_ARATH; CCA_BACSU; CHST1_DANRE; CHST1_HUMAN; CHST1_MOUSE; CHST1_RAT; CHST2_HUMAN; CHST2_MOUSE; CHST3_CHICK; CHST3_HUMAN; CHST3_MOUSE; CHST3_RAT; CHST3_TORCA; CHST4_HUMAN; CHST4_MO ChEBI
Reactome Database Links 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_22255; REACT_6722; REACT_6740; REACT_6765; REACT_6770; REACT_6792 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
Sulfate assimilation
Transport and synthesis of PAPS
Transport of nucleotide sugars

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