Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011729

Phytochemical name: L-Homoarginine

Synonymous chemical names:
l-homoarginine, homoarginine

External chemical identifiers:
CID:CID_9085, ChEMBL:CHEMBL589752, ChEBI:CHEBI:27747, ZINC:ZINC000001529320, FDASRS:JF751CK38I, SureChEMBL:SCHEMBL43287, MolPort-006-701-264

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Chemical structure information

SMILES:
NC(=NCCCC[C@@H](C(=O)O)N)N

InChI:
InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1

InChIKey:
QUOGESRFPZDMMT-YFKPBYRVSA-N

DeepSMILES:
NC=NCCCC[C@@H]C=O)O))N)))))))N

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

Link to spectral information:
MSBNK-Keio_Univ-KO003144, MSBNK-Keio_Univ-KO003146, MSBNK-Keio_Univ-KO003145, MSBNK-Keio_Univ-KO003143, MSBNK-Keio_Univ-KO003147, MSBNK-Keio_Univ-KO001104, MSBNK-Keio_Univ-KO001101, MSBNK-Keio_Univ-KO001105, MSBNK-Keio_Univ-KO001103, MSBNK-Keio_Univ-KO001102

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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: Aminoacids

NP-Likeness score: 1.624

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Chemical structure download