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CHEBI:168124 - L-Histidine trimethylbetaine

ChEBI IDCHEBI:168124
ChEBI NameL-Histidine trimethylbetaine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H15N3O2
Net Charge0
Average Mass197.238
Monoisotopic Mass197.11643
SMILESC[N+](C)(C)C(Cc1cncn1)C(=O)[O-]
InChIInChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)
InChIKeyGPPYTCRVKHULJH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
L-Histidine trimethylbetaine (CHEBI:168124) is a histidine derivative (CHEBI:24599)
IUPAC Name 
3-(1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate
Manual XrefsDatabases
CPD-15280MetaCyc
HMDB0029422HMDB
C05575KEGG COMPOUND
2340795ChemSpider