Summary

IMPPAT Phytochemical identifier: IMPHY008277

Phytochemical name: 2-amino-9-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-3H-purin-6-one

Synonymous chemical names:
guanosine 3',5'-monophosphate, guanosine-3',5'-monophosphate

External chemical identifiers:
CID:135402012, SureChEMBL:SCHEMBL52166

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Chemical structure information

SMILES:
OC1C2OP(=O)(O)OCC2OC1n1cnc2c1nc(N)[nH]c2=O

InChI:
InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)

InChIKey:
ZOOGRGPOEVQQDX-UHFFFAOYSA-N

DeepSMILES:
OCCOP=O)O)OCC6OC9ncncc5ncN)[nH]c6=O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]cnc2c1ncn2C1CC2O[PH](=O)OCC2O1

Scaffold Graph/Node level:
OC1NCNC2C1NCN2C1CC2OP(O)OCC2O1

Scaffold Graph level:
CC1CCC2CC(C3CCC4C(C)CCCC43)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Nucleosides, nucleotides, and analogues

ClassyFire Class: Purine nucleotides

ClassyFire Subclass: Cyclic purine nucleotides

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Nucleosides

NP Classifier Class: Purine nucleos(t)ides

NP-Likeness score: 1.209

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Chemical structure download