Basic information
- CAS
1962-83-0- Standard SMILES
NC(CCCC=O)C(=O)O- InChIKey
GFXYTQPNNXGICT-UHFFFAOYSA-N- Molecular formula
- C6H11NO3
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.07389321
Overview
Allysine is an alpha-amino acid consisting of lysine having an oxo group in place of the side-chain amino group. It is a tautomer of an allysine zwitterion.
Names & identifiers
- Preferred name
- 2-Azaniumyl-6-oxohexanoate
- IUPAC
- 2-amino-6-oxohexanoic acid
- English name
- L-2-Aminoadipate 6-semialdehyde
- Molecular formula
- C6H11NO3
- Molecular weight
- 145.16
Names & synonyms
2-azaniumyl-6-oxohexanoateRefChem:10622786-Oxo DL-Norleucine, Formate Salt6-oxonorleucine2125941-25-36-oxo-Norleucinealpha-Aminoadipic acid delta-semialdehyde5-Formylnorvaline6-Oxo-DL-norleucineAllysine (not validated)SCHEMBL79859L-2-Amino-6-oxohexanoic acid
Show more names
AllysineL-6-CARBALDEHYDENORLEUCINE2-amino-6-oxo-hexanoic acid2-aminoadipate semialdehydeα-AMinoadipic δ-SeMialdehyde2-aminoadipate-6-semialdehyde2-aminoadipate 6-semialdehydeL-2-Aminoadipate 6-semialdehyde
SCHEMBL4957946GAA66512HCO-[CH2]3-CH(NH2)-COOHFO26647Q61298
Database identifiers
- CAS
1962-83-0- PubChem CID
- 207
- DTXSID
DTXSID00862802
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 295.2 · 295.2±35.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- pka
- 2.5 · 2.50±0.24(Predicted)
- FDA UNII
- 425 I4Y24YZ · 425I4Y24YZ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesA metabolite of Lysine
Suppliers7 total
凯试(上海)科技有限公司021-50135380 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
Additional notes
DefinitionChEBI: An alpha-amino acid consisting of lysine having an oxo group in place of the side-chain amino group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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