3'-phosphoadenylyl-sulfate

Chemical Formula:

C₁₀H₁₁N₅O₁₃P₂S

Molecular Weight:

503.23 Daltons

Monoisotopic Mass:

506.9862293048 Daltons

SMILES:

C(OP(=O)([O-])OS(=O)(=O)[O-])C1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23)))

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)/p-4/t4-,6-,7-,10-/m1/s1

InChIKey:

GACDQMDRPRGCTN-KQYNXXCUSA-J

Synonyms

phosphoadenosine-5'-phosphosulfate
phosphoadenosine phosphosulfate
3'-phosphoadenosine-5'-phosphosulfate
3'-phosphoadenylyl sulfate
3'-phospho-5'-adenylyl sulfate
PAPS

Databases

MetaCyc: PAPS

BiGG: paps

MetaboLights: MTBLC58339

HMDB: HMDB01134

ChEBI: 58339 17980

PubChem (CID): 46926099

KNApSAcK: C00007446

KEGG: C00053

CAS: 482-67-7

PupChem (SID): 3355

PDB-CCD: PPS

3DMET: B01139

NIKKAJI: J372.802A

Seed: cpd00044

MetaNetX: MNXM49