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CHEBI:74043 - 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine

ChEBI IDCHEBI:74043
ChEBI Name2-[(3S)-3-amino-3-carboxypropyl]-L-histidine
Stars
ASCII Name2-[(3S)-3-amino-3-carboxypropyl]-L-histidine
DefinitionA 2-(3-amino-3-carboxypropyl)-L-histidine in which position 3 on the side-chain has S-configuration.
Last Modified10 June 2013
SubmitterSteve
DownloadsMolfile
FormulaC10H16N4O4
Net Charge0
Average Mass256.262
Monoisotopic Mass256.11715
SMILESN[C@@H](CCc1ncc(C[C@H](N)C(=O)O)n1)C(=O)O
InChIInChI=1S/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6-,7-/m0/s1
InChIKeyCJCSNWWKPUXVRD-BQBZGAKWSA-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).
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).
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
2-[(3S)-3-amino-3-carboxypropyl]-L-histidine (CHEBI:74043) is a 2-(3-amino-3-carboxypropyl)-L-histidine (CHEBI:17144)
2-[(3S)-3-amino-3-carboxypropyl]-L-histidine (CHEBI:74043) is tautomer of 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine dizwitterion (CHEBI:74042)
Incoming Relation(s)
2-[(3S)-3-amino-3-carboxypropyl]-L-histidine dizwitterion (CHEBI:74042) is tautomer of 2-[(3S)-3-amino-3-carboxypropyl]-L-histidine (CHEBI:74043)
IUPAC Name 
2-[(3S)-3-amino-3-carboxypropyl]-L-histidine