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CHEBI:174161 - 2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine

ChEBI IDCHEBI:174161
ChEBI Name2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N4O4
Net Charge+1
Average Mass299.351
Monoisotopic Mass299.17138
SMILESC[N+](C)(C)C(CCc1ncc(C[C@H](N)C(=O)O)n1)C(=O)O
InChIInChI=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)/p+1/t9-,10?/m0/s1
InChIKeyCBQVLMCHMFGPMX-RGURZIINSA-O
ChEBI Ontology
Outgoing Relation(s)
2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine (CHEBI:174161) is a histidine derivative (CHEBI:24599)
IUPAC Name 
[3-[5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl]-1-carboxypropyl]-trimethylazanium
Manual XrefsDatabases
HMDB0059617HMDB
35031955ChemSpider