Chem
J-GLOBAL ID：200907048849474262   Nikkaji number：J15.868B

Nopaline

ノパリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H20N4O6
Molecular formula furigana： C11-H20-N4-O6
Molecular weight： 304.303
InChI： InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1
InChI key： LMKYZBGVKHTLTN-NKWVEPMBSA-N
SMILES： NC(=N)NCCC[C@H](N[C@H](CCC(=O)O)C(=O)O)C(=O)O
Systematic name  (3)：
  • N-[(S)-4-[[アミノ(イミノ)メチル]アミノ]-1-カルボキシブチル]-D-グルタミン酸
  • (2R)-2-{[(1S)-4-カルバムイミドアミド-1-カルボキシブチル]アミノ}ペンタン二酸
  • (2R)-2-{[(1S)-4-carbamimidamido-1-carboxybutyl]amino}pentanedioic acid
Other name (3)：
  • ノパリン
  • Nopaline
  • N-[(S)-4-[[Amino(imino)methyl]amino]-1-carboxybutyl]-D-glutamic acid
CAS registry number： 22350-70-5
KEGG COMPOUND： C01682
Application (1)：
metabolite
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