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CHEBI:73766 - 2-[3-carboxylato-3-(trimethylammonio)propyl]-L-histidine

ChEBI IDCHEBI:73766
ChEBI Name2-[3-carboxylato-3-(trimethylammonio)propyl]-L-histidine
Stars
ASCII Name2-[3-carboxylato-3-(trimethylammonio)propyl]-L-histidine
DefinitionA L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxylato-3-(trimethylammonio)propyl group.
Last Modified7 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC13H22N4O4
Net Charge0
Average Mass298.343
Monoisotopic Mass298.16411
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)/t9-,10?/m0/s1
InChIKeyCBQVLMCHMFGPMX-RGURZIINSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[3-carboxylato-3-(trimethylammonio)propyl]-L-histidine (CHEBI:73766) is a L-histidine derivative (CHEBI:84076)
2-[3-carboxylato-3-(trimethylammonio)propyl]-L-histidine (CHEBI:73766) is a amino-acid betaine (CHEBI:22860)
2-[3-carboxylato-3-(trimethylammonio)propyl]-L-histidine (CHEBI:73766) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
Incoming Relation(s)
2-[3-carboxylato-3-(trimethylammonio)propyl]-L-histidine residue (CHEBI:73746) is substituent group from 2-[3-carboxylato-3-(trimethylammonio)propyl]-L-histidine (CHEBI:73766)
IUPAC Name 
4-{5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-2-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
HMDB0059617HMDB