UCSF

ZINC04228246

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Adenosine phosphosulfate Adenosine phosphosulfate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 102029-95-8 , 485-84-7

Other Names:

3-phospho-5-adenylyl sulfate; 3-phosphoadenosine 5-phosphosulfate; 3'-Phospho-5'-adenylyl sulfate; 3'-Phosphoadenosine 5'-phosphosulfate; 3'-phosphoadenosine-5'-phosphosulfate; 3'-Phosphoadenylyl sulfate; 3'-phosphoadenylyl-sulfate; 5-phosphoadenosine 3-p

485-84-7; 5'-Adenylyl sulfate; APS; Adenosine 5'-phosphosulfate; Adenylyl sulfate; C00224

5'-Adenylic acid, monoanhydride with sulfuric acid; 5'-Adenylyl sulfate; AMPS; APS; Adenosine 5'-phosphosulfate; Adenosine 5'-sulfatophosphate; Adenosine phosphosulfate; Adenosine sulfatophosphate; Adenylyl sulfate; BRN 0067726; LS-15199

5'-adenylyl sulfate

5'-adenylyl sulfate dianion; adenosine 5'-phosphosulfate

5'-adenylyl sulfate(2-)

Adenosine 5'-phosphosulfate; adenosine 5'-sulphatophosphate; Adenosine Phosphosulfate; Adenosine phosphosulfic acid; adenosine sulfatophosphate; adenylic acid monoanhydride with sulfurate; adenylic acid monoanhydride with sulfuric acid; adenylyl sulfate

Adenosine 5'-phosphosulfate;Adenosine 5'-phosphosulphate;Adenosine 5'-sulphatophosphate;Adenosine Phosphosulfate;Adenosine Phosphosulphate;Adenosine sulfatophosphate;Adenylic acid monoanhydride with sulfurate;Adenylic acid monoanhydride with sulfuric acid

AMPS; APS; Adenosine 5'-phosphosulfate; Adenosine 5'-sulphatophosphate; Adenosine Phosphosulfate; Adenosine sulfatophosphate; Adenylic acid monoanhydride with sulfurate; Adenylic acid monoanhydride with sulfuric acid; Adenylyl sulfate; Adenylyl-sulfate; P

AMPS;APS;Adenosine 5'-phosphosulfate;Adenosine 5'-sulphatophosphate;Adenosine Phosphosulfate;Adenosine sulfatophosphate;Adenylic acid monoanhydride with sulfurate;Adenylic acid monoanhydride with sulfuric acid;Adenylyl sulfate;Adenylyl-sulfate;Phosphosulf

Aps sodium salt

CHEBI:12059; CHEBI:40562; CHEBI:2486; CHEBI:13743; CHEBI:13741; CHEBI:22247

MFCD00057011

{[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-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) -4.17 -4.66 -122.83 4 15 -2 235 425.272 6 ↓
Lo Low (pH 4.5-6) -4.17 -4.4 -122.24 5 15 -1 236 426.28 6 ↓
Lo Low (pH 4.5-6) -4.17 -8.77 -123.53 5 15 -1 236 426.28 6 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links A1AS_CAVPO; APA1_YEAST; APK1_ARATH; APK2_ARATH; APK3_ARATH; APK4_ARATH; APR1_ARATH; APR1_ORYSJ; APR2_ARATH; APR3_ARATH; APRL2_ORYSJ; APRL3_ORYSJ; APRL4_ARATH; APRL4_ORYSJ; APRL5_ARATH; APRL5_ORYSJ; APRL6_ARATH; APRL6_ORYSJ; APRL7_ARATH; APS1_ARATH; APS2_A ChEBI
UniProt Database Links APA1_YEAST; APK1_ARATH; APK2_ARATH; APK3_ARATH; APK4_ARATH; APR1_ARATH; APR1_ORYSJ; APR2_ARATH; APR3_ARATH; APRL2_ORYSJ; APRL3_ORYSJ; APRL4_ARATH; APRL4_ORYSJ; APRL5_ARATH; APRL5_ORYSJ; APRL6_ARATH; APRL6_ORYSJ; APRL7_ARATH; APS1_ARATH; APS2_ARATH; APS3_A ChEBI
Patent Database Links EP1776985; US2006068014 ChEBI
Reactome Database Links REACT_6767; REACT_6792 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Cysteine synthesis from O-acetylserine
Sulfate assimilation
Transport and synthesis of PAPS

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