(Q27123949)

Dinitrophenyl-lysine (English)

6 October 2016

chemical formula

C₁₂H₁₆N₄O₆

1 reference

Dinitrophenyl-lysine (English)

6 October 2016

canonical SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCC(C(=O)O)N

1 reference

Dinitrophenyl-lysine (English)

6 October 2016

isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCC[C@@H](C(=O)O)N

1 reference

Dinitrophenyl-lysine (English)

InChI=1S/C12H16N4O6/c13-9(12(17)18)3-1-2-6-14-10-5-4-8(15(19)20)7-11(10)16(21)22/h4-5,7,9,14H,1-3,6,13H2,(H,17,18)/t9-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

Dinitrophenyl-lysine (English)

6 October 2016

2 references

Dinitrophenyl-lysine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

2 references

https://commonchemistry.cas.org/detail?cas_rn=1094-76-4

N(6)-(2,4-dinitrophenyl)-L-lysine (English)

6 October 2016

6 April 2021

1 reference

N~6~-(2,4-Dinitrophenyl)-L-lysine (English)

6 October 2016

2 references

Dinitrophenyl-lysine (English)

6 October 2016

40488045

1 reference

Reaxys registry number

2822998

1 reference

N(6)-(2,4-dinitrophenyl)-L-lysine (English)

6 October 2016

ChEBI ID

53080

mapping relation type

2 references

N(6)-(2,4-dinitrophenyl)-L-lysine (English)

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C12H16N4O6/c13-9(12(17)18)3-1-2-6-14-10-5-4-8(15(19)20)7-11(10)16(21)22/h4-5,7,9,14H,1-3,6,13H2,(H,17,18)/t9-/m0/s1

1 reference

CHEMBL2028905 (English)

6 October 2016

DSSTox substance ID

DTXSID10911153

1 reference

DSSTOX compound identifier

DTXCID201340192

0 references

UNII

S6TD66F98C

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

114088

1 reference

stated in

IEDB Epitope ID

114088