CHEBI:15616 - (3S,5S)-3,5-diaminohexanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S,5S)-3,5-diaminohexanoic acid
ChEBI ID CHEBI:15616
ChEBI ASCII Name (3S,5S)-3,5-diaminohexanoic acid
Definition A chiral diamino acid consisting of hexanoic acid having amino substituents at the 3- and 5-positions and (S,S)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:220, CHEBI:13065, CHEBI:18574, CHEBI:10894
Supplier Information
Download Molfile XML SDF
Formula C6H14N2O2
Net Charge 0
Average Mass 146.18764
Monoisotopic Mass 146.10553
InChI InChI=1S/C6H14N2O2/c1-4(7)2-5(8)3-6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKey NGDLSXMSQYUVSJ-WHFBIAKZSA-N
SMILES C[C@H](N)C[C@H](N)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616) has functional parent hexanoic acid (CHEBI:30776)
(3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616) is a β-amino acid (CHEBI:33706)
(3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616) is a diamino acid (CHEBI:35987)
(3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616) is conjugate acid of (3S,5S)-3,5-diaminohexanoate (CHEBI:21282)
(3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616) is conjugate base of (3S,5S)-3,5-diammoniohexanoate (CHEBI:57436)
Incoming (3S,5S)-3,5-diammoniohexanoate (CHEBI:57436) is conjugate acid of (3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616)
(3S,5S)-3,5-diaminohexanoate (CHEBI:21282) is conjugate base of (3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616)
IUPAC Name
(3S,5S)-3,5-diaminohexanoic acid
Synonyms Sources
(3S,5S)-3,5-diaminocaproic acid ChEBI
L-erythro-3,5-diaminohexanoic acid ChEBI
Manual Xref Database
C01186 KEGG COMPOUND
View more database links
Last Modified
01 December 2011