UMC

2'-deoxy-5'-uridylic acid

Created:	2012-08-03
Last modified:	2024-09-27

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3 entries where UMC is found as a standalone ligand2 entries where UMC is covalently linked to polymer or other heterogen groups 2 entries where UMC is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	3
Bond Count	36
Aromatic Bond Count	0

2D diagram of UMC

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Chemical Component Summary
Name	2'-deoxy-5'-uridylic acid
Systematic Name (OpenEye OEToolkits)	[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₉ H₁₅ N₂ O₈ P
Molecular Weight	310.198
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1)CC2O
SMILES	CACTVS	3.370	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O)NC2=O
SMILES	OpenEye OEToolkits	1.7.6	C1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O
Canonical SMILES	CACTVS	3.370	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2CCC(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h5-6,8,12H,1-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey	InChI	1.03	WQQZADPPRABIFU-SHYZEUOFSA-N

Related Resource References

Resource Name	Reference
PubChem	448231
ChEMBL	CHEMBL3144338

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