Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003527

Phytochemical name: N-Nitrosoguvacine

Synonymous chemical names:
n-nitrosoguvacine

External chemical identifiers:
CID:CID_62102, ChEBI:CHEBI:82511

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Chemical structure information

SMILES:
O=NN1CCC=C(C1)C(=O)O

InChI:
InChI=1S/C6H8N2O3/c9-6(10)5-2-1-3-8(4-5)7-11/h2H,1,3-4H2,(H,9,10)

InChIKey:
XAZBVEFQMFZFEZ-UHFFFAOYSA-N

DeepSMILES:
O=NNCCC=CC6)C=O)O

Functional groups:
CN(N=O)C, CC=C(C(=O)O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCNCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.52

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Chemical structure download