FYA

ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]

Created:	1999-07-08
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where FYA is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	6
Bond Count	61
Aromatic Bond Count	16

2D diagram of FYA

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]
Systematic Name (OpenEye OEToolkits)	[(2S)-2-amino-3-phenyl-propyl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
Formula	C₁₉ H₂₅ N₆ O₇ P
Molecular Weight	480.412
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(OCC(N)Cc1ccccc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
SMILES	CACTVS	3.341	N[CH](CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)Cc4ccccc4
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC(COP(=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N
Canonical SMILES	CACTVS	3.341	N[C@H](CO[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)Cc4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C[C@@H](CO[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N
InChI	InChI	1.03	InChI=1S/C19H25N6O7P/c20-12(6-11-4-2-1-3-5-11)7-30-33(28,29)31-8-13-15(26)16(27)19(32-13)25-10-24-14-17(21)22-9-23-18(14)25/h1-5,9-10,12-13,15-16,19,26-27H,6-8,20H2,(H,28,29)(H2,21,22,23)/t12-,13+,15+,16+,19+/m0/s1
InChIKey	InChI	1.03	XNEAAYNJQROQFE-BPAMBQHCSA-N

Related Resource References

Resource Name	Reference
PubChem	444490

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.