LA8
Summary
Name: | L-ADENOSINE-5'-DIPHOSPHATE |
Synonyms: | L-ADP |
Formula: | C10 H15 N5 O10 P2 |
Formal charge: | 0 |
Formula weight: | 427.201 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine |
OpenEye OEToolkits | 1.6.1 | [(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O |
SMILES_CANONICAL | CACTVS | 3.352 | Nc1ncnc2n(cnc12)[C@H]3O[C@@H](CO[P](O)(=O)O[P](O)(O)=O)[C@H](O)[C@@H]3O |
SMILES | CACTVS | 3.352 | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N |
SMILES | OpenEye OEToolkits | 1.6.1 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N |
InChI | InChI | 1.03 | 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-/m0/s1 |
InChIKey | InChI | 1.03 | XTWYTFMLZFPYCI-DEGSGYPDSA-N |