Summary

IMPPAT Phytochemical identifier: IMPHY006305

Phytochemical name: Inosine

Synonymous chemical names:
inosine

External chemical identifiers:
CID:6021

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Chemical structure information

SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]cnc2=O

InChI:
InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1

InChIKey:
UGQMRVRMYYASKQ-KQYNXXCUSA-N

DeepSMILES:
OC[C@H]O[C@H][C@@H][C@@H]5O))O))ncncc5[nH]cnc6=O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1nc[nH]c2c1ncn2C1CCCO1

Scaffold Graph/Node level:
OC1NCNC2C1NCN2C1CCCO1

Scaffold Graph level:
CC1CCCC2C1CCC2C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Nucleosides, nucleotides, and analogues

ClassyFire Class: Purine nucleosides

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Nucleosides

NP Classifier Class: Purine nucleos(t)ides

NP-Likeness score: 1.174

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Chemical structure download