ADP-α-D-glucose

Chemical Formula:

C₁₆H₂₃N₅O₁₅P₂

Molecular Weight:

587.33 Daltons

Monoisotopic Mass:

589.08223818 Daltons

SMILES:

C(C1(C(C(C(C(O1)OP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)O)O))(=O)[O-])(=O)[O-])O)O)O))O

InChI:

1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/p-2/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1

InChIKey:

WFPZSXYXPSUOPY-ROYWQJLOSA-L

Synonyms

adenosine diphosphate glucose
ADP-glucose
ADP-D-glucose

Databases

MetaCyc: ADP-D-GLUCOSE

RefMet: ADP-glucose

BiGG: adpglc

PubChem (CID): 42609821 16500

MetaboLights: MTBLC57498

HMDB: HMDB06557

ChEBI: 57498 15751

KEGG: C00498

CAS: 2140-58-1

Seed: cpd00387

MetaNetX: MNXM561

PupChem (SID): 3781

CHEMBL: CHEMBL227552

PDB-CCD: ADQ

3DMET: B01269

NIKKAJI: J14.393F