3-ADP-glycerate

Chemical Formula:

C₁₃H₁₆N₅O₁₃P₂

Molecular Weight:

512.243 Daltons

Monoisotopic Mass:

515.0454587432 Daltons

SMILES:

C(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23))))C(O)C(=O)[O-]

InChI:

1S/C13H19N5O13P2/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(21)8(20)6(30-12)2-29-33(26,27)31-32(24,25)28-1-5(19)13(22)23/h3-6,8-9,12,19-21H,1-2H2,(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)/p-3/t5?,6-,8-,9-,12-/m1/s1

InChIKey:

APVQTUURIRQYIT-NRJACJQQSA-K

Databases

MetaCyc: 3-ADPGLYCERATE

ChEBI: 57800

PubChem (CID): 25203584

KEGG: C02509

Seed: cpd01650

MetaNetX: MNXM4324