CHEBI:49004 - N-acetyl-LL-2,6-diaminopimelic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-acetyl-LL-2,6-diaminopimelic acid
ChEBI ID CHEBI:49004
ChEBI ASCII Name N-acetyl-LL-2,6-diaminopimelic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7410, CHEBI:21876
Supplier Information
Download Molfile XML SDF
Formula C9H16N2O5
Net Charge 0
Average Mass 232.23382
Monoisotopic Mass 232.10592
InChI InChI=1S/C9H16N2O5/c1-5(12)11-7(9(15)16)4-2-3-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t6-,7-/m0/s1
InChIKey KYVLWJXMCBZDRL-BQBZGAKWSA-N
SMILES CC(=O)N[C@@H](CCC[C@H](N)C(O)=O)C(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 N-acetyl-LL-2,6-diaminopimelic acid (CHEBI:49004) has functional parent LL-2,6-diaminopimelic acid (CHEBI:16026)
N-acetyl-LL-2,6-diaminopimelic acid (CHEBI:49004) is a amino dicarboxylic acid (CHEBI:36164)
N-acetyl-LL-2,6-diaminopimelic acid (CHEBI:49004) is conjugate acid of N-acetyl-LL-2,6-diaminopimelate(1−) (CHEBI:58767)
N-acetyl-LL-2,6-diaminopimelic acid (CHEBI:49004) is conjugate acid of N-acetyl-LL-2,6-diaminopimelate(2−) (CHEBI:18317)
Incoming N-acetyl-LL-2,6-diaminopimelate(1−) (CHEBI:58767) is conjugate base of N-acetyl-LL-2,6-diaminopimelic acid (CHEBI:49004)
N-acetyl-LL-2,6-diaminopimelate(2−) (CHEBI:18317) is conjugate base of N-acetyl-LL-2,6-diaminopimelic acid (CHEBI:49004)
IUPAC Name
(2S,6S)-2-acetamido-6-aminoheptanedioic acid
Synonyms Sources
N-Acetyl-LL-2,6-diaminoheptanedioate KEGG COMPOUND
N2-Acetyl-LL-2,6-diaminoheptanedioate KEGG COMPOUND
N2-Acetyl-LL-2,6-diaminopimelate KEGG COMPOUND
N6-Acetyl-L-2,6-diaminoheptanedioate KEGG COMPOUND
N6-Acetyl-L-2,6-diaminopimelate KEGG COMPOUND
N6-Acetyl-LL-2,6-diaminoheptanedioate KEGG COMPOUND
N6-Acetyl-LL-2,6-diaminopimelate KEGG COMPOUND
Manual Xref Database
C04390 KEGG COMPOUND
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Last Modified
23 April 2010