adenosine 5'-phosphosulfate

Chemical Formula:

C₁₀H₁₂N₅O₁₀PS

Molecular Weight:

425.266 Daltons

Monoisotopic Mass:

427.0198988964 Daltons

SMILES:

C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OS(=O)([O-])=O)([O-])=O

InChI:

1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/p-2/t4-,6-,7-,10-/m1/s1

InChIKey:

IRLPACMLTUPBCL-KQYNXXCUSA-L

Synonyms

adenylyl-sulfate
adenosine phosphosulfate
adenosine 5'-sulphatophosphate
APS

Databases

MetaCyc: APS

BiGG: aps

PubChem (CID): 49852317

ChEBI: 58243 17709

MetaboLights: MTBLC58243

HMDB: HMDB01003

KEGG: C00224

CAS: 485-84-7

MediaDB: compounds/16427/

Reactome: 174370

Seed: cpd00193

MetaNetX: MNXM287

PupChem (SID): 3524

CHEMBL: CHEMBL572546

KNApSAcK: C00007445

PDB-CCD: ADX

3DMET: B01194

NIKKAJI: J37.502K