Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004636

Phytochemical name: Glycylglycine

Synonymous chemical names:
glycylglycine

External chemical identifiers:
CID:CID_11163, ChEMBL:CHEMBL292467, ChEBI:CHEBI:356445, ZINC:ZINC000005112515, FDASRS:10525P22U0, SureChEMBL:SCHEMBL14934, MolPort-002-507-601

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Chemical structure information

SMILES:
NCC(=O)NCC(=O)O

InChI:
InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)

InChIKey:
YMAWOPBAYDPSLA-UHFFFAOYSA-N

DeepSMILES:
NCC=O)NCC=O)O

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

Link to spectral information:
MSBNK-RIKEN-PR010161, MSBNK-RIKEN_ReSpect-PS023707, MSBNK-RIKEN_ReSpect-PS023705, MSBNK-RIKEN_ReSpect-PS023704, MSBNK-RIKEN_ReSpect-PS023703, MSBNK-RIKEN_ReSpect-PS023702, MSBNK-RIKEN_ReSpect-PS023701, MSBNK-RIKEN_ReSpect-PM000928, MSBNK-RIKEN-PR100558, MSBNK-RIKEN-PR100136, MSBNK-RIKEN-PR010160, MSBNK-Keio_Univ-KO002965, MSBNK-Osaka_Univ-OUF00258, MSBNK-Keio_Univ-KO002968, MSBNK-Keio_Univ-KO002967, MSBNK-Keio_Univ-KO002966, MSBNK-Keio_Univ-KO002964, MSBNK-Keio_Univ-KO000882, MSBNK-Keio_Univ-KO000881, MSBNK-Keio_Univ-KO000880, MSBNK-Keio_Univ-KO000879, MSBNK-Keio_Univ-KO000878, MSBNK-Osaka_Univ-OUF00259

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Amino acids, peptides, and analogues

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Dipeptides

NP-Likeness score: -0.382

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Chemical structure download