adenosine 3',5'-bisphosphate

Chemical Formula:

C₁₀H₁₁N₅O₁₀P₂

Molecular Weight:

423.172 Daltons

Monoisotopic Mass:

427.0294147485 Daltons

SMILES:

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

InChI:

1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/p-4/t4-,6-,7-,10-/m1/s1

InChIKey:

WHTCPDAXWFLDIH-KQYNXXCUSA-J

Synonyms

adenosine-3',5'-bisphosphate
phosphoadenosine phosphate
PAP

Databases

MetaCyc: 3-5-ADP

BiGG: pap

MetaboLights: MTBLC58343

HMDB: HMDB00061

ChemSpider: 19951095

ChEBI: 58343 17985

PubChem (CID): 23615194

CAS: 1053-73-2

KEGG: C00054

PupChem (SID): 3356

PDB-CCD: A3P

3DMET: B01140

NIKKAJI: J14.396K

Seed: cpd00045

MetaNetX: MNXM45

KNApSAcK: C00019352

CHEMBL: CHEMBL574817