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L-homocarnosine

PropertiesImage
MNX_IDMNXM56612 Image of MNXM56612
referencechebi:143075
formulaC10H16N4O3
global charge0
mol weight240.263
InChIKeyCCLQKVKJOGVQLU-QMMMGPOBSA-N
InChIInChI=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
SMILES[NH3+]CCCC(=O)N[C@@H](CC1=CNC=N1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM56612
SMILES (mnx)[CH2:1]([CH2:2][C:9](=[N:14][C@@H:8]([CH2:4][C:7]1=[CH:5][N:12]=[CH:6][NH:13]1)[C:10](=[O:16])[OH:17])[OH:15])[CH2:3][NH2:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:143075
chebi:143075
CCLQKVKJOGVQLU-QMMMGPOBSA-N 		L-homocarnosine
(2S)-2-(4-azaniumylbutanamido)-3-(1H-imidazol-4-yl)propanoate
(2S)-homocarnosine zwitterion
L-homocarnosine zwitterion
gamma-aminobutanoyl-L-His
gamma-aminobutanoyl-L-histidine
gamma-aminobutyryl-L-histidine zwitterion

bigg.metabolite:HC00576
biggM:HC00576
bigg.metabolite:hcarn
biggM:hcarn
bigg.metabolite:hmcarn
biggM:hmcarn
CCLQKVKJOGVQLU-QMMMGPOBSA-N 		Homocarnosine

vmhM:HC00576
vmhmetabolite:HC00576
vmhM:hmcarn
vmhmetabolite:hmcarn
CCLQKVKJOGVQLU-QMMMGPOBSA-M
CCLQKVKJOGVQLU-QMMMGPOBSA-N 		Homocarnosine
(2S)-2-(4-aminobutanamido)-3-(1H-imidazol-4-yl)propanoic acid
hmdb:HMDB0000745
CCLQKVKJOGVQLU-QMMMGPOBSA-N 		Homocarnosine
(2S)-2-(4-aminobutanamido)-3-(1H-imidazol-4-yl)propanoic acid
(2S)-Homocarnosine
(S)-Homocarnosine
Homocarnosine sulfate
L-Homocarnosine
N(a)-(4-Aminobutyryl)-L-histidine
N(alpha)-(4-Aminobutyryl)-L-histidine
N(alpha)-(4-aminobutyryl)-L-histidine
N-(4-Amino-1-oxobutyryl)histidine
N-(4-Aminobutanoyl)-(S)-histidine
N-(4-Aminobutyryl)-L-histidine
N-(4-Aminobutyryl)-histidine
g-Aminobutyryl histidine
g-Aminobutyryl-L-his
g-Aminobutyryl-L-histidine
g-Aminobutyrylhistidine
gamma-Aminobutyryl histidine
gamma-Aminobutyryl-L-his
gamma-Aminobutyryl-L-histidine
gamma-Aminobutyrylhistidine
gamma-aminobutyryl histidine
gamma-aminobutyryl-L-his

sabiork.compound:5297
sabiorkM:5297
kegg.compound:C00884
keggC:C00884
CCLQKVKJOGVQLU-QMMMGPOBSA-N
CCLQKVKJOGVQLU-UHFFFAOYSA-N 		Homocarnosine
L-Homocarnosine
N-(4-Amino-1-oxobutyryl)histidine
gamma-Aminobutyryl histidine

seed.compound:cpd00657
seedM:cpd00657
CCLQKVKJOGVQLU-QMMMGPOBSA-N 		Homocarnosine
L-Homocarnosine
N-(4-Amino-1-oxobutyryl)histidine
gamma-Aminobutyryl histidine
gamma-aminobutyrylhistidine
homocarnosine

CHEBI:85981
chebi:85981
CCLQKVKJOGVQLU-QMMMGPOBSA-N 		L-homocarnosine
(2S)-homocarnosine
(S)-homocarnosine
N(alpha)-(4-aminobutyryl)-L-histidine
N-(4-aminobutanoyl)-(S)-histidine
N-(4-aminobutanoyl)-L-histidine
N-(4-aminobutyryl)-L-histidine
gamma-aminobutyryl-L-His
homocarnosine

CHEBI:28050
chebi:28050
CCLQKVKJOGVQLU-UHFFFAOYSA-N 		homocarnosine
N-(4-aminobutanoyl)histidine
N-(4-aminobutyryl)histidine
gamma-Aminobutyryl histidine

metacyc.compound:CPD-12185
metacycM:CPD-12185
CCLQKVKJOGVQLU-QMMMGPOBSA-N 		homocarnosine
gamma-aminobutyrylhistidine

hmdb:HMDB00745
chebi:24607
chebi:5750
biggM:M_HC00576
biggM:M_hcarn
biggM:M_hmcarn
keggC:M_C00884
seedM:M_cpd00657
vmhM:M_HC00576
vmhM:M_hmcarn 		secondary/obsolete/fantasy identifier