CA0

5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine

Created:	2011-09-20
Last modified:	2011-09-20

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8 entries where CA0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	4
Bond Count	43
Aromatic Bond Count	10

2D diagram of CA0

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Chemical Component Summary
Name	5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine
Systematic Name (OpenEye OEToolkits)	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] carbamate
Formula	C₁₁ H₁₅ N₆ O₈ P
Molecular Weight	390.246
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(OC(=O)N)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
SMILES	CACTVS	3.370	NC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILES	OpenEye OEToolkits	1.7.2	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)N)O)O)N
Canonical SMILES	CACTVS	3.370	NC(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)N)O)O)N
InChI	InChI	1.03	InChI=1S/C11H15N6O8P/c12-8-5-9(15-2-14-8)17(3-16-5)10-7(19)6(18)4(24-10)1-23-26(21,22)25-11(13)20/h2-4,6-7,10,18-19H,1H2,(H2,13,20)(H,21,22)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1
InChIKey	InChI	1.03	CHSNPOFVFYPELH-KQYNXXCUSA-N

Related Resource References

Resource Name	Reference
PubChem	54751688
ChEBI	CHEBI:73680

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