Summary

IMPPAT Phytochemical identifier: IMPHY007047

Phytochemical name: Inosine 5-monophosphate

Synonymous chemical names:
inosine 5-monophosphate

External chemical identifiers:
CID:8582

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Chemical structure information

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

InChI:
InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey:
GRSZFWQUAKGDAV-KQYNXXCUSA-N

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

Functional groups:
CO, COC, COP(=O)(O)O, 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 nucleotides

ClassyFire Subclass: Purine ribonucleotides

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Nucleosides

NP Classifier Class: Purine nucleos(t)ides

NP-Likeness score: 1.184

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Chemical structure download