Summary

IMPPAT Phytochemical identifier: IMPHY005122

Phytochemical name: Uridine diphosphate glucuronic acid

Synonymous chemical names:
uridine diphosphate glucuronic acid

External chemical identifiers:
CID:17473, ChEMBL:CHEMBL228057, ChEBI:17200, ZINC:ZINC000008215691, FDASRS:04SZC4MEFQ

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Chemical structure information

SMILES:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O

InChI:
InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1

InChIKey:
HDYANYHVCAPMJV-LXQIFKJMSA-N

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

Functional groups:
CC(=O)O, 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: 1.431

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Chemical structure download