BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Argininosuccinic Acid

Graphical representations:

Argininosuccinic acid image

Molecular Formula: C10 H18 N4 O6

Natural Isotopic Abundance Mass: 290.27312

Mono-Isotopic Molecular Masses:

  • C12N14: 290.1226343312
  • C13N14: 300.1561827092
  • C12N15: 294.110773904
  • C13N15: 304.144322282

InCHi String: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1

canonical SMILES: C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O

isomeric SMILES: C(C[C@@H](C(=O)O)N)CN=C(N)N[C@@H](CC(=O)O)C(=O)O

PUBCHEM iupac NAME
(2S)-2-[[N'-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid

PUBCHEM iupac TRADITIONAL NAME
(2S)-2-[[N'-[(4S)-4-amino-4-carboxy-butyl]amidino]amino]succinic acid

PUBCHEM iupac OPENEYE NAME
(2S)-2-[[N'-[(4S)-4-amino-4-carboxy-butyl]carbamimidoyl]amino]butanedioic acid

PUBCHEM iupac CAS NAME
(2S)-2-[[amino-[(4S)-4-amino-4-carboxybutyl]iminomethyl]amino]butanedioic acid

PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-[[N'-[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]butanedioic acid

PubChem Substance (SID):   144080932   804384   126522979
PubChem Compound (CID):   16950
KEGG: Compound ID   C03406
CAS Registry IDs:   2387-71-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 918149-29-8   MDL number MFCD11656132   MMCD cq_02035   Sigma-Aldrich A5707_SIGMA   811 HMDB00052   ChemIDplus 002387715   ChemSpider 17346288   NIAID 166734

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.