D-(+)-Threo-isocitric Acid
D_threo_isocitric_acid synonyms
(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate; D-threo-Isocitric acid
Graphical representations:
View large 3D structure
Molecular Formula: C6H8O7
Natural Isotopic Abundance Mass: 192.1235200000
Mono-Isotopic Molecular Masses:
- C12N14: 192.027002611
- C13N14: 198.047131638
- C12N15: 192.027002611
- C13N15: 198.047131638
InChI string: InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m1/s1
IUPAC: (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
PubChem Compound (CID): 439238KEGG Compound ID: C00451
CAS Registry number: 6061-97-8
ChEBI: 15562
PDB Compound ID: ICI ICT
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)