FA5

ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]

Created:	2001-07-20
Last modified:	2011-06-04

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3 entries where FA5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	6
Bond Count	60
Aromatic Bond Count	16

2D diagram of FA5

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Chemical Component Summary
Name	ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]
Systematic Name (OpenEye OEToolkits)	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-amino-3-phenyl-propanoate
Formula	C₁₉ H₂₃ N₆ O₈ P
Molecular Weight	494.395
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccccc4
SMILES	CACTVS	3.341	N[CH](Cc1ccccc1)C(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC(C(=O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1ccccc1)C(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N
InChI	InChI	1.03	InChI=1S/C19H23N6O8P/c20-11(6-10-4-2-1-3-5-10)19(28)33-34(29,30)31-7-12-14(26)15(27)18(32-12)25-9-24-13-16(21)22-8-23-17(13)25/h1-5,8-9,11-12,14-15,18,26-27H,6-7,20H2,(H,29,30)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1
InChIKey	InChI	1.03	ZFNOOEXYTZPIQS-URQYDQELSA-N

Related Resource References

Resource Name	Reference
PubChem	193730

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