U6M

6-methyluridine 5'-(dihydrogen phosphate)

Created:	2013-10-29
Last modified:	2013-12-04

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1 entries where U6M is found as a standalone ligand

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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 U6M

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Chemical Component Summary
Name	6-methyluridine 5'-(dihydrogen phosphate)
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-[6-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₅ N₂ O₉ P
Molecular Weight	338.208
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1C)C(O)C2O
SMILES	CACTVS	3.385	CC1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
SMILES	OpenEye OEToolkits	1.7.6	CC1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.385	CC1=CC(=O)NC(=O)N1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC1=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/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
InChIKey	InChI	1.03	CHBBJHPQYVYKFI-ZOQUXTDFSA-N

Related Resource References

Resource Name	Reference
PubChem	16666398
ChEMBL	CHEMBL472783

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