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Homocarnosine

AlkaPlorer ID: AK004557

Synonym: None

IUPAC Name: (2S)-2-(4-aminobutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid

Structure

SMILES: NCCCC(=O)N[C@@H](CC1=CNC=N1)C(=O)O

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InChI: InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1

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InChIKey: CCLQKVKJOGVQLU-QMMMGPOBSA-N

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Reference

PubChem CID: 90657684

CAS: 20314-38-9

NPASS: NPC286696

Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 240.263

TPSA？: 121.1

MolLogP？: -0.7394999999999989

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Saccharomyces cerevisiae General amino-acid permease GAP1 Inhibition 15.0 % 10.1038/nchembio.132
None Unchecked Activity 0.0 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 0.31 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 1.0 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 1.02 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 1.86 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 2.0 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 2.5 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 3.0 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 8.0 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 8.28 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 12.0 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 12.1 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 17.56 % 10.1016/j.ejmech.2006.12.036
None Unchecked Activity 18.0 % 10.1016/j.ejmech.2006.12.036

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014644 C[SAH].NCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O>>Cn1cncc1C[C@H](NC(=O)CCCN)C(=O)O enzymemap_26401
AKRT017864 NCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O>>NCCCC(=O)O R01991
AKRT017865 NCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O>>N[C@@H](Cc1c[nH]cn1)C(=O)O R01991
AKRT017866 NCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O>>NCCCC(=O)O enzymemap_66542
AKRT017867 NCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O>>N[C@@H](Cc1cnc[nH]1)C(=O)O enzymemap_66542
AKRT017874 NCCCC(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O>>NCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O R01992
AKRT017876 NCCCC(=O)O.N[C@@H](Cc1cnc[nH]1)C(=O)O>>NCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O enzymemap_90312