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Acetylcarnosine

PropertiesImage
MNX_IDMNXM40087 Image of MNXM40087
referencechebi:172509
formulaC11H16N4O4
global charge0
mol weight268.273
InChIKeyBKAYIFDRRZZKNF-SECBINFHSA-N
InChIInChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m1/s1
SMILESCC(=O)NCCC(=O)N[C@H](CC1=CN=CN1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m1/s1 Image of MNXM40087
SMILES (mnx)[CH3:1][C:7](=[N:13][CH2:3][CH2:2][C:10](=[N:15][C@H:9]([CH2:4][C:8]1=[CH:5][N:12]=[CH:6][NH:14]1)[C:11](=[O:18])[OH:19])[OH:17])[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:172509
chebi:172509
BKAYIFDRRZZKNF-SECBINFHSA-N 		Acetylcarnosine
(2R)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid

bigg.metabolite:CE2065
biggM:CE2065
BKAYIFDRRZZKNF-SECBINFHSA-M 		Acetylcarnosine
hmdb:HMDB0012881
BKAYIFDRRZZKNF-SECBINFHSA-N 		Acetylcarnosine
(2R)-2-(3-acetamidopropanamido)-3-(1H-imidazol-5-yl)propanoic acid
(2R)-2-(3-acetamidopropanamido)-3-(3H-imidazol-4-yl)propanoic acid
(2R)-2-({1-hydroxy-3-[(1-hydroxyethylidene)amino]propylidene}amino)-3-(1H-imidazol-5-yl)propanoate
N-Acetylcarnosine

vmhM:CE2065
vmhmetabolite:CE2065
BKAYIFDRRZZKNF-SECBINFHSA-M 		acetylcarnosine
(2R)-2-(3-acetamidopropanamido)-3-(1H-imidazol-5-yl)propanoic acid

hmdb:HMDB12881
biggM:M_CE2065
vmhM:M_CE2065 		secondary/obsolete/fantasy identifier