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CHEBI:73764 - 2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine

ChEBI IDCHEBI:73764
ChEBI Name2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine
Stars
ASCII Name2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine
DefinitionA L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxy-3-(dimethylamino)propyl group.
Last Modified7 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC12H20N4O4
Net Charge0
Average Mass284.316
Monoisotopic Mass284.14846
SMILESCN(C)C(CCc1ncc(C[C@H](N)C(=O)O)n1)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-16(2)9(12(19)20)3-4-10-14-6-7(15-10)5-8(13)11(17)18/h6,8-9H,3-5,13H2,1-2H3,(H,14,15)(H,17,18)(H,19,20)/t8-,9?/m0/s1
InChIKeyGFBGZDGVFNNXRE-IENPIDJESA-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-carboxy-3-(dimethylamino)propyl]-L-histidine (CHEBI:73764) is a L-histidine derivative (CHEBI:84076)
2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine (CHEBI:73764) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine (CHEBI:73764) is tautomer of 2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion (CHEBI:73763)
Incoming Relation(s)
2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion (CHEBI:73763) is tautomer of 2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine (CHEBI:73764)
IUPAC Name 
2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine