0OH

North-methanocarba-2'-deoxyadenosine triphosphate

Created:	2012-04-03
Last modified:	2012-04-03

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2 entries where 0OH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	4
Bond Count	52
Aromatic Bond Count	10

2D diagram of 0OH

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Chemical Component Summary
Name	North-methanocarba-2'-deoxyadenosine triphosphate
Systematic Name (OpenEye OEToolkits)	[[(1S,2S,4S,5R)-2-(6-aminopurin-9-yl)-4-oxidanyl-5-bicyclo[3.1.0]hexanyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula	C₁₂ H₁₈ N₅ O₁₁ P₃
Molecular Weight	501.22
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.370	Nc1ncnc2n(cnc12)[CH]3C[CH](O)[C]4(CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[CH]34
SMILES	OpenEye OEToolkits	1.7.6	c1nc(c2c(n1)n(cn2)C3CC(C4(C3C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N
Canonical SMILES	CACTVS	3.370	Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@]4(CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[C@H]34
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N
InChI	InChI	1.03	InChI=1S/C12H18N5O11P3/c13-10-9-11(15-4-14-10)17(5-16-9)7-1-8(18)12(2-6(7)12)3-26-30(22,23)28-31(24,25)27-29(19,20)21/h4-8,18H,1-3H2,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/t6-,7+,8+,12+/m1/s1
InChIKey	InChI	1.03	ZDQTYRSOYYLILG-VXDIOVFMSA-N

Related Resource References

Resource Name	Reference
PubChem	3013623

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