U1P

6-[(E)-iminomethyl]uridine 5'-phosphate

Created:	2008-10-23
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	4
Bond Count	38
Aromatic Bond Count	0

2D diagram of U1P

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Chemical Component Summary
Name	6-[(E)-iminomethyl]uridine 5'-phosphate
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(iminomethyl)-2,4-dioxo-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₄ N₃ O₉ P
Molecular Weight	351.207
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=O)N(C(C=[N@H])=C1)C2OC(C(O)C2O)COP(=O)(O)O
SMILES	CACTVS	3.341	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C=N
SMILES	OpenEye OEToolkits	1.5.0	[H]N=CC1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C=N
Canonical SMILES	OpenEye OEToolkits	1.5.0	[H]/N=C/C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI	InChI	1.03	InChI=1S/C10H14N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1-2,5,7-9,11,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/b11-2+/t5-,7-,8-,9-/m1/s1
InChIKey	InChI	1.03	GSNYQYNODBCZBM-XDMCGQROSA-N

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