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CHEBI:41030 - (3S)-3,7-diaminoheptanoic acid

Default Structure
ChEBI IDCHEBI:41030
ChEBI Name(3S)-3,7-diaminoheptanoic acid
Stars
ASCII Name(3S)-3,7-diaminoheptanoic acid
DefinitionA diamino acid that is heptanoic acid substituted by amino groups at positions 3 and 7 respectively (the 3S stereoisomer).
Last Modified12 May 2014
DownloadsMolfile
FormulaC7H16N2O2
Net Charge0
Average Mass160.217
Monoisotopic Mass160.12118
SMILESNCCCC[C@H](N)CC(=O)O
InChIInChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1
InChIKeyPJDINCOFOROBQW-LURJTMIESA-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)
(3S)-3,7-diaminoheptanoic acid (CHEBI:41030) has functional parent heptanoic acid (CHEBI:45571)
(3S)-3,7-diaminoheptanoic acid (CHEBI:41030) is a diamino acid (CHEBI:35987)
(3S)-3,7-diaminoheptanoic acid (CHEBI:41030) is a β-amino acid (CHEBI:33706)
IUPAC Name 
(3S)-3,7-diaminoheptanoic acid
Synonym  Source
beta-LysineChemIDplus
Manual XrefsDatabases
B3KPDBeChem
Registry NumbersSources
Reaxys:6288171Reaxys