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2-[3-carboxylato-3-(trimethylammonio)propyl]-L-histidine

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103513

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₃H₂₂N₄O₄

charge

mass

298.16411

reference

InChIKey

CBQVLMCHMFGPMX-RGURZIINSA-N

InChI

InChI=1S/C13H22N4O4/c1-17(2,3)10(13(20)21)4-5-11-15-7-8(16-11)6-9(14)12(18)19/h7,9-10H,4-6,14H2,1-3H3,(H2-,15,16,18,19,20,21)/t9-,10?/m0/s1

SMILES

C[N+](C)(C)C(CCc1ncc(C[C@H](N)C(=O)O)[nH]1)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73766 chebi:73766	2-[3-carboxylato-3-(trimethylammonio)propyl]-L-histidine 4-{5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-2-(trimethylazaniumyl)butanoate
hmdb:HMDB0059617	2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine (3-{4-[(2S)-2-amino-2-carboxyethyl]-3H-imidazol-2-yl}-1-carboxypropyl)trimethylazanium (3-{5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxypropyl)trimethylazanium
CHEBI:174161 chebi:174161	2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine [3-[5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl]-1-carboxypropyl]-trimethylazanium
hmdb:HMDB59617	secondary/obsolete/fantasy identifier