Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014197

Phytochemical name: Aminolevulinic acid

Synonymous chemical names:
5-aminolevulinate

External chemical identifiers:
CID:CID_137, ChEMBL:CHEMBL601, ChEBI:CHEBI:356416, ZINC:ZINC000003782550, FDASRS:88755TAZ87, SureChEMBL:SCHEMBL8243, MolPort-001-788-423

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Chemical structure information

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

InChI:
InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)

InChIKey:
ZGXJTSGNIOSYLO-UHFFFAOYSA-N

DeepSMILES:
NCC=O)CCC=O)O

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

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS039102, MSBNK-RIKEN-PR100633, MSBNK-RIKEN-PR100221, MSBNK-Osaka_Univ-OUF00071, MSBNK-Osaka_Univ-OUF00070, MSBNK-RIKEN_ReSpect-PS039101, MSBNK-Keio_Univ-KO002156, MSBNK-Keio_Univ-KO002155, MSBNK-Keio_Univ-KO002154, MSBNK-Keio_Univ-KO002153, MSBNK-Keio_Univ-KO002157

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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: 0.68

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Chemical structure download