MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

N(alpha)-acetyl-L-histidine

	Properties	Image
MNX_ID	MNXM4710
reference	chebi:57772
formula	C₈H₁₀N₃O₃
global charge	-1
mol weight	196.186
InChIKey	KBOJOGQFRVVWBH-ZETCQYMHSA-M
InChI	InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/p-1/t7-/m0/s1
SMILES	CC(=O)N[C@@H](CC1=CN=CN1)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1
SMILES (mnx)	[CH3:1][C:5](=[N:11][C@@H:7]([CH2:2][C:6]1=[CH:3][N:9]=[CH:4][NH:10]1)[C:8](=[O:13])[OH:14])[OH:12]

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
Identifier	Description
CHEBI:57772 chebi:57772 KBOJOGQFRVVWBH-ZETCQYMHSA-M	N(alpha)-acetyl-L-histidine (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoate N(2)-acetyl-L-histidinate N-acetyl-L-histidinate N-acetyl-L-histidinate anion N-acetyl-L-histidine N-acetyl-L-histidine(1-)
kegg.compound:C02997 keggC:C02997 KBOJOGQFRVVWBH-ZETCQYMHSA-N	N-Acetyl-L-histidine
vmhM:naclhis vmhmetabolite:naclhis KBOJOGQFRVVWBH-ZETCQYMHSA-N	N-Acetyl-L-histidine (2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoic acid
seed.compound:cpd01921 seedM:cpd01921 KBOJOGQFRVVWBH-UHFFFAOYSA-M	N-Acetyl-L-histidine L-Histidine, N-acetyl- N-Acetylhistidine N-alpha-L-histidine N2-Acetylhistidine
hmdb:HMDB0032055 KBOJOGQFRVVWBH-ZETCQYMHSA-N	N-Acetylhistidine (2S)-2-Acetamido-3-(1H-imidazol-5-yl)propanoic acid (2S)-2-Acetamido-3-(1H-imidazol-5-yl)propionic acid (2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoic acid (S)-2-Acetamido-3-(1H-imidazol-4-yl)propanoicacid N-Acetyl histidine N-Acetyl-L-histidine N-Acetylhistidine monohydrate N-Acetylhistidine, (DL)-isomer N-Hydroxy-aabp N-a-L-Histidine N-alpha-Acetyl-L-histidine N-alpha-L-Histidine N-alpha-L-histidine N-alpha-acetyl-L-histidine N2-Acetylhistidine Nalpha-acetyl-L-histidine Nalpha-acetylhistidine alpha-N-Acetyl-L-histidine alpha-N-acetyl-L-histidine
metacyc.compound:CPD-424 metacycM:CPD-424 KBOJOGQFRVVWBH-ZETCQYMHSA-M	N-acetyl-L-histidine L-Histidine, N-acetyl- N-Acetylhistidine N-alpha-acetyl-L-histidine N2-Acetylhistidine
CHEBI:16437 chebi:16437 KBOJOGQFRVVWBH-ZETCQYMHSA-N	N-acetyl-L-histidine N(2)-acetyl-L-histidine N-Acetyl-L-histidine N-Acetylhistidine N-Hydroxy-aabp N-acetyl histidine N-alpha-L-histidine
seed.compound:cpd24478 seedM:cpd24478 KBOJOGQFRVVWBH-ZETCQYMHSA-M	N-acetyl-L-histidine N-alpha-acetyl-L-histidine
CHEBI:86910 chebi:86910 KBOJOGQFRVVWBH-UHFFFAOYSA-N	N-acetylhistidine 2-acetamido-3-(1H-imidazol-5-yl)propanoic acid
hmdb:HMDB32055 chebi:12462 chebi:21554 chebi:7153 keggC:M_C02997 seedM:M_cpd01921 seedM:M_cpd24478 vmhM:M_naclhis	secondary/obsolete/fantasy identifier