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Grateloupine

AlkaPlorer ID: AK043325

Synonym: 4-[(Aminocarbonyl)amino]butanoic acid, N-Carbamoyl-γ-aminobutyric acid, γ-Ureidobutyric acid 

IUPAC Name: 4-(carbamoylamino)butanoic acid

Structure

SMILES: N=C(O)NCCCC(=O)O

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InChI: InChI=1S/C5H10N2O3/c6-5(10)7-3-1-2-4(8)9/h1-3H2,(H,8,9)(H3,6,7,10)

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InChIKey: QYTWIMMLQKHPGL-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Carpesium triste Carpesium Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Paralithodes brevipes Paralithodes Lithodidae Decapoda Malacostraca Arthropoda Metazoa Eukaryota
Nekemias chaffanjonii Nekemias Vitaceae Vitales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lobularia maritima Lobularia Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ammoides pusilla Ammoides Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Royena zombensis Royena Ebenaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hyla arborea Hyla Hylidae Anura Amphibia Chordata Metazoa Eukaryota
Frasera albicaulis Frasera Gentianaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper nigrum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Grateloupia filicina Grateloupia Halymeniaceae Halymeniales Florideophyceae Rhodophyta None Eukaryota
Glycyrrhiza glabra Glycyrrhiza Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lolium rigidum Lolium Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Prosopis juliflora Prosopis Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ustilaginoidea virens Ustilaginoidea Clavicipitaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota
Astragalus angustifolius Astragalus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Litchi chinensis Litchi Sapindaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 146.14600000000002

TPSA？: 93.41

MolLogP？: -0.0664300000000004

Number of H-Donors: 4

Number of H-Acceptors: 2

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 25918.5 nM None
Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM None
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
Rattus norvegicus GABA-A receptor; anion channel Ki 100000.0 nM 10.1021/jm00385a003
None Unchecked Potency 7943.3 nM None
None Unchecked Potency 35481.3 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017067 NC(=O)NCCCC(=O)O>>NCCCC(=O)O enzymemap_77672
AKRT017068 NC(=O)NCCCC(=O)O>>O=C=O enzymemap_77672