3-ADP-2-phosphoglyceric acid (Q27102834)

3-{[(adenosin-5'-yl)(hydroxy)phosphoryloxy](hydroxy)phosphoryloxy}-2-(phosphonooxy)propanoic acid (English)

5 October 2016

chemical formula

C₁₃H₂₀N₅O₁₆P₃

1 reference

3-{[(adenosin-5'-yl)(hydroxy)phosphoryloxy](hydroxy)phosphoryloxy}-2-(phosphonooxy)propanoic acid (English)

5 October 2016

canonical SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(=O)O)OP(=O)(O)O)O)O

1 reference

3-{[(adenosin-5'-yl)(hydroxy)phosphoryloxy](hydroxy)phosphoryloxy}-2-(phosphonooxy)propanoic acid (English)

5 October 2016

isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OCC(C(=O)O)OP(=O)(O)O)O)O

1 reference

3-{[(adenosin-5'-yl)(hydroxy)phosphoryloxy](hydroxy)phosphoryloxy}-2-(phosphonooxy)propanoic acid (English)

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)/t5-,6?,8-,9-,12-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

3-{[(adenosin-5'-yl)(hydroxy)phosphoryloxy](hydroxy)phosphoryloxy}-2-(phosphonooxy)propanoic acid (English)

FNEVPPRBJBZTAF-MDSCUQPFSA-N

5 October 2016

InChIKey

2 references

3-{[(adenosin-5'-yl)(hydroxy)phosphoryloxy](hydroxy)phosphoryloxy}-2-(phosphonooxy)propanoic acid (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5'-O-[({[2-Carboxy-2-(phosphonooxy)ethoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine (English)

5 October 2016

2 references

3-{[(adenosin-5'-yl)(hydroxy)phosphoryloxy](hydroxy)phosphoryloxy}-2-(phosphonooxy)propanoic acid (English)

matched by identifier from

5 October 2016

InChIKey

FNEVPPRBJBZTAF-MDSCUQPFSA-N

ChEBI ID

18117

mapping relation type

3 references

3-ADP-2-phosphoglyceric acid (English)