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(Q76511922)
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English
(2S)-6-amino-2-(4-aminobutanoylamino)hexanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
231.158291532
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₀H₂₁N₃O₃
0 references
canonical SMILES
NCCCCC(NC(=O)CCCN)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(CCN)C[C@@H](C(=O)O)NC(=O)CCCN
0 references
Identifiers
InChI
InChI=1S/C10H21N3O3/c11-6-2-1-4-8(10(15)16)13-9(14)5-3-7-12/h8H,1-7,11-12H2,(H,13,14)(H,15,16)/t8-/m0/s1
0 references
InChIKey
OCBQYJFUZHJRIU-QMMMGPOBSA-N
0 references
CAS Registry Number
22468-02-6
1 reference
InChIKey
OCBQYJFUZHJRIU-QMMMGPOBSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=22468-02-6
PubChem CID
20849140
0 references
UniChem compound ID
57763244
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30610070
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID50560826
0 references
Human Metabolome Database ID
HMDB0001959
1 reference
based on heuristic
inferred from InChIKey
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