U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H15N5O13P2S
Molecular Weight 507.264
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-PHOSPHOADENOSINE 5'-PHOSPHOSULFATE

SMILES

NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]3O

InChI

InChIKey=GACDQMDRPRGCTN-KQYNXXCUSA-N
InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H15N5O13P2S
Molecular Weight 507.264
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:40:40 GMT 2023
Edited
by admin
on Sat Dec 16 10:40:40 GMT 2023
Record UNII
5TH3ERG159
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-PHOSPHOADENOSINE 5'-PHOSPHOSULFATE
Common Name English
5'-ADENYLYL SULFATE 3'-PHOSPHATE
Systematic Name English
3'-PHOSPHOADENYLYL SULFATE
Systematic Name English
ADENOSINE, 3',5'-BIS(DIHYDROGEN PHOSPHATE), 5'-MONOANHYDRIDE WITH SULFURIC ACID
Systematic Name English
3'-ADENYLIC ACID, 5'-(DIHYDROGEN PHOSPHATE), 5'-ANHYDRIDE WITH SULFURIC ACID
Systematic Name English
ADENOSINE 3',5'-DIPHOSPHATE, 5'-ANHYDRIDE WITH SULFURIC ACID
Systematic Name English
PAPS (NUCLEOTIDE)
Common Name English
ADENOSINE 3'-PHOSPHATE 5'-SULFATOPHOSPHATE
Systematic Name English
ADENOSINE 5'-PHOSPHOSULFATE 3'-PHOSPHATE
Systematic Name English
PAPS
Common Name English
ADENOSINE 3'-PHOSPHATE 5'-PHOSPHOSULFATE
Systematic Name English
Code System Code Type Description
WIKIPEDIA
3'-Phosphoadenosine-5'-phosphosulfate
Created by admin on Sat Dec 16 10:40:40 GMT 2023 , Edited by admin on Sat Dec 16 10:40:40 GMT 2023
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EPA CompTox
DTXSID40894869
Created by admin on Sat Dec 16 10:40:40 GMT 2023 , Edited by admin on Sat Dec 16 10:40:40 GMT 2023
PRIMARY
CHEBI
17980
Created by admin on Sat Dec 16 10:40:40 GMT 2023 , Edited by admin on Sat Dec 16 10:40:40 GMT 2023
PRIMARY
FDA UNII
5TH3ERG159
Created by admin on Sat Dec 16 10:40:40 GMT 2023 , Edited by admin on Sat Dec 16 10:40:40 GMT 2023
PRIMARY
CHEBI
58339
Created by admin on Sat Dec 16 10:40:40 GMT 2023 , Edited by admin on Sat Dec 16 10:40:40 GMT 2023
PRIMARY
PUBCHEM
10214
Created by admin on Sat Dec 16 10:40:40 GMT 2023 , Edited by admin on Sat Dec 16 10:40:40 GMT 2023
PRIMARY
CAS
482-67-7
Created by admin on Sat Dec 16 10:40:40 GMT 2023 , Edited by admin on Sat Dec 16 10:40:40 GMT 2023
PRIMARY