BMRB

Biological Magnetic Resonance Data Bank


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

R-(-)-Citramalic Acid

Graphical representations:

R-(-)-Citramalic acid image

Molecular Formula: C5 H8 O5

Natural Isotopic Abundance Mass: 148.11402

Mono-Isotopic Molecular Masses:

  • C12N14: 148.0371733673
  • C13N14: 153.0539475563
  • C12N15: 148.0371733673
  • C13N15: 153.0539475563

InCHi String: InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/t5-/m1/s1

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

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

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
(2R)-2-hydroxy-2-methylbutanedioic acid

PUBCHEM iupac TRADITIONAL NAME
(2R)-2-hydroxy-2-methyl-succinic acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(2R)-2-hydroxy-2-methyl-butanedioic acid

PubChem Substance (SID):   85165217   36883935   5597
PubChem Compound (CID):   439766
KEGG: Compound ID   C02612
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 329142_ALDRICH   ChEBI CHEBI:15586   ChemSpider 388822

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.