The Biofilms Structural Database

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ADP

Code

ADP

Name

ADENOSINE-5'-DIPHOSPHATE

Molecular Weight

427.2

Isomeric SMILES

Nc1ncnc2n(cnc12)[[email protected]@H]1O[[email protected]](CO[[email protected]@](O)(=O)OP(O)(O)=O)[[email protected]@H](O)[[email protected]]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