BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

2-Isopropylmalic Acid

Graphical representations:

2-Isopropylmalic acid image

Molecular Formula: C7 H12 O5

Natural Isotopic Abundance Mass: 176.16718

Mono-Isotopic Molecular Masses:

  • C12N14: 176.0684734957
  • C13N14: 183.0919573603
  • C12N15: 176.0684734957
  • C13N15: 183.0919573603

InCHi String: InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)

canonical and isomeric SMILES: CC(C)C(CC(=O)O)(C(=O)O)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
2-hydroxy-2-propan-2-ylbutanedioic acid

PUBCHEM iupac TRADITIONAL NAME
2-hydroxy-2-isopropyl-succinic acid

PUBCHEM iupac OPENEYE NAME
2-hydroxy-2-isopropyl-butanedioic acid

PUBCHEM iupac SYSTEMATIC NAME
2-oxidanyl-2-propan-2-yl-butanedioic acid

PubChem Substance (SID):   144080983   24438458   24860103
PubChem Compound (CID):   77
KEGG: Compound ID   n/a
CAS Registry IDs:   3237-44-3
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 3237-44-3   Beilstein Registry Number 26781   MMCD cq_01544   Sigma-Aldrich 333115_ALDRICH   ChemSpider 76   BIND 1084   ChemDB 6684461

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.