Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008392

Phytochemical name: Uridine-5'-monophosphate

Synonymous chemical names:
uridine monophosphate

External chemical identifiers:
CID:CID_6030, ChEMBL:CHEMBL214393, ChEBI:CHEBI:16695, ZINC:ZINC000002123545, FDASRS:E2OU15WN0N, SureChEMBL:SCHEMBL157644, MolPort-006-110-136

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Chemical structure information

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

InChI:
InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChIKey:
DJJCXFVJDGTHFX-XVFCMESISA-N

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

Functional groups:
CO, COC, cn(C)c, c=O, c[nH]c, COP(=O)(O)O

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS037206, MSBNK-Washington_State_Univ-BML82306, MSBNK-RIKEN_ReSpect-PS037212, MSBNK-RIKEN_ReSpect-PS037211, MSBNK-RIKEN_ReSpect-PS037208, MSBNK-RIKEN_ReSpect-PS037207, MSBNK-RIKEN_ReSpect-PS037205, MSBNK-RIKEN_ReSpect-PS037210, MSBNK-RIKEN_ReSpect-PS037203, MSBNK-RIKEN_ReSpect-PS037202, MSBNK-RIKEN_ReSpect-PS037201, MSBNK-RIKEN_ReSpect-PS037204, MSBNK-RIKEN-PR100623, MSBNK-Antwerp_Univ-METOX_P103601_FB57, MSBNK-Antwerp_Univ-METOX_P103601_EF88

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccn(C2CCCO2)c(=O)[nH]1

Scaffold Graph/Node level:
OC1CCN(C2CCCO2)C(O)N1

Scaffold Graph level:
CC1CCC(C2CCCC2)C(C)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Nucleosides, nucleotides, and analogues

ClassyFire Class: Pyrimidine nucleotides

ClassyFire Subclass: Pyrimidine ribonucleotides

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Nucleosides

NP Classifier Class: Pyrimidine nucleos(t)ides

NP-Likeness score: 1.44

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Chemical structure download