(S)-8-amino-7-oxononanoate
Basic information
- CAS
4707-58-8- Standard SMILES
C[C@H]([NH3+])C(=O)CCCCCC(=O)[O-]- InChIKey
GUAHPAJOXVYFON-ZETCQYMHSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.1208434
Overview
(8S)-8-amino-7-oxononanoic acid zwitterion is an 8-amino-7-oxononanoic acid zwitterion.
Names & identifiers
- Preferred name
- (S)-8-amino-7-oxononanoate
- IUPAC
- (8S)-8-azaniumyl-7-oxononanoate
- English name
- 7-Keto-8-aminopelargonic acid
- Molecular formula
- C9H17NO3
- Molecular weight
- 187.24
Names & synonyms
(S)-8-amino-7-oxononanoateKAPA(8S)-8-amino-7-oxononanoate7-keto-8-aminopelargonateCHEBI:149468(S)-8-amino-7-oxononanoic acid zwitterion8-Amino-7-oxononanoic acidNonanoic acid, 8-amino-7-oxo-7-Keto-8-aminopelargonic acid
Database identifiers
- CAS
4707-58-8、682799-71-9- PubChem CID
- 36688192
- ChEBI
CHEBI:149468
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
Physicochemical properties
- Boiling point
- 357.1 · 357.1±27.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- pka
- 4.74 · 4.74±0.10(Predicted)
- FDA UNII
- 0 SI1JMK5I · D0SI1JMK5I
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 8-amino-7-oxononanoic acid is the 8-amino-7-oxo derivative of nonanoic acid. It has a role as a Saccharomyces cerevisiae metabolite. It is a 7-oxo monocarboxylic acid and an amino acid. It is functionally related to a nonanoic acid. It is a conjugate acid of an 8-amino-7-oxononanoate. It is a tautomer of an 8-amino-7-oxononanoic acid zwitterion.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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