Summary

IMPPAT Phytochemical identifier: IMPHY001406

Phytochemical name: Uridine-diphosphate-N-acetylglucosamine

Synonymous chemical names:
uridine diphosphate n-acetylglucosamine

External chemical identifiers:
CID:445675, ChEMBL:CHEMBL388154, ChEBI:16264, ZINC:ZINC000008551100, SureChEMBL:SCHEMBL1521296

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Chemical structure information

SMILES:
OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C

InChI:
InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1

InChIKey:
LFTYTUAZOPRMMI-CFRASDGPSA-N

DeepSMILES:
OC[C@H]O[C@H]OP=O)OP=O)OC[C@H]O[C@H][C@@H][C@@H]5O))O))nccc=O)[nH]c6=O))))))))))))O)))O)))[C@@H][C@H][C@@H]6O))O))NC=O)C

Functional groups:
CC(=O)NC, CO, COC, COP(=O)(O)OP(=O)(O)O[C@H](C)OC, c=O, c[nH]c, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccn(C2CCC(CO[PH](=O)O[PH](=O)OC3CCCCO3)O2)c(=O)[nH]1

Scaffold Graph/Node level:
OC1CCN(C2CCC(COP(O)OP(O)OC3CCCCO3)O2)C(O)N1

Scaffold Graph level:
CC(CCC1CCC(C2CCC(C)CC2C)C1)CC(C)CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Nucleosides, nucleotides, and analogues

ClassyFire Class: Pyrimidine nucleotides

ClassyFire Subclass: Pyrimidine nucleotide sugars

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Aminosugars and aminoglycosides

NP Classifier Class: Aminosugars

NP-Likeness score: 1.259

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Chemical structure download