UDN

Uridine-Diphosphate-Methylene-N-acetyl-galactosamine

Created: 2017-10-15
Last modified:  2018-02-07

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Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count9
Bond Count70
Aromatic Bond Count0
2D diagram of UDN
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Chemical Component Summary

NameUridine-Diphosphate-Methylene-N-acetyl-galactosamine
Systematic Name (OpenEye OEToolkits)[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methyl-[[(3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-phosphinic acid
FormulaC18 H29 N3 O16 P2
Molecular Weight605.381
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O
SMILESOpenEye OEToolkits2.0.6CC(=O)NC1C(OC(C(C1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O
Canonical SMILESCACTVS3.385 CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1C[P](O)(=O)O[P](O)(=O)OC[C@@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O
Canonical SMILESOpenEye OEToolkits2.0.6 CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O
InChIInChI1.03 InChI=1S/C18H29N3O16P2/c1-7(23)19-12-10(35-8(4-22)13(25)15(12)27)6-38(30,31)37-39(32,33)34-5-9-14(26)16(28)17(36-9)21-3-2-11(24)20-18(21)29/h2-3,8-10,12-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29)/t8-,9+,10-,12+,13+,14-,15-,16-,17-/m1/s1
InChIKeyInChI1.03 KUFKOJZYUNOEES-HCUIDVLSSA-N

Related Resource References

Resource NameReference
PubChem 137350082