ADI

2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATE

Created:	2001-09-26
Last modified:	2011-06-04

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2 entries where ADI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	3
Bond Count	42
Aromatic Bond Count	10

2D diagram of ADI

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Chemical Component Summary
Name	2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula	C₁₀ H₁₅ N₅ O₈ P₂
Molecular Weight	395.202
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3
SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(O)=O)O3
SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)OP(=O)(O)O)N
Canonical SMILES	CACTVS	3.341	Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO[P@](O)(=O)O[P](O)(O)=O)O3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)N
InChI	InChI	1.03	InChI=1S/C10H15N5O8P2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(22-7)3-21-25(19,20)23-24(16,17)18/h4-7H,1-3H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
InChIKey	InChI	1.03	QYFSANXOEHYVFG-NKWVEPMBSA-N

Related Resource References

Resource Name	Reference
PubChem	446575

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