The Biofilms Structural Database
Name
ADENOSINE-5'-DIPHOSPHATE
Molecular Weight
427.2
Isomeric SMILES
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Formula
C10H15N5O10P2
Identifiers
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
Formal Charge
0
InChI
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Atom Count
42
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
PDB codes
5EXT, 5YA2
Type
NON-POLYMER
Chiral Atom Count
5
Chiral Atoms
C1', C2', C3', C4', PA
Bond Count
44
Aromatic Bond Count
10
Leaving Atoms
n/a