3-ADP-2-phosphoglycerate

Chemical Formula:

C₁₃H₁₅N₅O₁₆P₃

Molecular Weight:

590.207 Daltons

Monoisotopic Mass:

595.0117891515999 Daltons

SMILES:

C(OP(=O)([O-])OP(=O)([O-])OCC(OP(=O)([O-])[O-])C(=O)[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23)))

InChI:

1S/C13H20N5O16P3/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(20)8(19)5(32-12)1-30-36(26,27)34-37(28,29)31-2-6(13(21)22)33-35(23,24)25/h3-6,8-9,12,19-20H,1-2H2,(H,21,22)(H,26,27)(H,28,29)(H2,14,15,16)(H2,23,24,25)/p-5/t5-,6?,8-,9-,12-/m1/s1

InChIKey:

FNEVPPRBJBZTAF-MDSCUQPFSA-I

Databases

MetaCyc: 3-ADP-2-PHOSPHOGLYCERATE

ChEBI: 58381

PubChem (CID): 25201089

KEGG: C03673

Seed: cpd02306

MetaNetX: MNXM4323