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DL-2-Aminooctanoic acid (PC000283)

Record Information
Version1.0
Creation date2015-10-09 22:29:38 UTC
Update date2017-01-19 02:36:19 UTC
FoodComEx IDPC000283
FoodDB RecordFDB022354
Chemical Information
NameDL-2-Aminooctanoic acid
Descriptionalpha-Aminooctanoic acid is an amino compound found occasionally in human urine. (PMID: 13447222) alpha-Aminooctanoic acid has been found in one case in the milk of a lactating mother at the 144th day of lactation. (Science and Culture (1960), 26 186-7.) [HMDB]
CAS Number644-90-6
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(+-)-2-AminooctanoateGenerator
(+-)-2-Aminooctanoic acidChEBI
(+/-)-2-amino-octanoatehmdb
(+/-)-2-amino-octanoic acidhmdb
(+/-)-2-aminooctanoateGenerator
(+/-)-2-aminooctanoic acidChEBI
2-amino-dl-caprylatehmdb
2-amino-dl-caprylic acidhmdb
2-amino-dl-octanoatehmdb
2-amino-dl-octanoic acidhmdb
2-AminocaprylateGenerator
2-Aminocaprylic acidChEBI
2-aminooctanoatehmdb
2-aminooctanoic acidhmdb
a-AminocaprylateGenerator
a-Aminocaprylic acidGenerator
a-AminooctanoateGenerator
a-Aminooctanoic acidGenerator
alpha-AminocaprylateGenerator
alpha-Aminocaprylic acidChEBI
alpha-AminooctanoateGenerator
alpha-Aminooctanoic acidChEBI
D,L-2-AminooctanoateGenerator
D,L-2-Aminooctanoic acidChEBI
dl-2-aminocaprylatehmdb
dl-2-aminocaprylic acidhmdb
DL-2-Aminooctanoatehmdb
DL-2-Aminooctanoic acidhmdb
DL-a-amino-N-CaprylateGenerator
DL-a-amino-N-Caprylic acidGenerator
DL-a-AminocaprylateGenerator
DL-a-Aminocaprylic acidGenerator
dl-alpha-amino-n-caprylatehmdb
dl-alpha-amino-n-caprylic acidhmdb
DL-alpha-AminocaprylateGenerator
DL-alpha-Aminocaprylic acidChEBI
DL-α-amino-N-caprylateGenerator
DL-α-amino-N-caprylic acidGenerator
DL-α-aminocaprylateGenerator
DL-α-aminocaprylic acidGenerator
NSC 20147ChEBI
α-aminocaprylateGenerator
α-aminocaprylic acidGenerator
α-aminooctanoateGenerator
α-aminooctanoic acidGenerator
Chemical FormulaC8H17NO2
IUPAC name2-aminooctanoic acid
InChI IdentifierInChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
InChI KeyAKVBCGQVQXPRLD-UHFFFAOYSA-N
Isomeric SMILESCCCCCCC(N)C(O)=O
Average Molecular Weight159.2261
Monoisotopic Molecular Weight159.125928793
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Medium-chain fatty acid
  • Amino fatty acid
  • Fatty acid
  • Fatty acyl
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organopnictogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Organic oxygen compound
  • Amine
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 3 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci M346
Toronto Research Chemicals A603185