bmse000198 6-Phosphogluconic acid at BMRB

6-Phosphogluconic acid

D-Gluconic acid 6-(dihydrogen phosphate); 6-Phospho-D-gluconate; 6-Phosphogluconate; Gluconic acid-6-phosphate

Molecular Formula: C6 H13 O10 P
Natural Isotopic Abundance Mass: 276.1351810000
Mono-Isotopic Molecular Masses: C12N14: 276.024633148; C13N14: 282.044762175; C12N15: 276.024633148; C13N15: 282.044762175

6-Phosphogluconic acid

InCHi String:
InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1

isomeric SMILES:
C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O
canonical SMILES:
C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O

IUPAC
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexanoic acid

PubChem Substance (SID):   85165016   668246   3638
PubChem Compound (CID):   91493
KEGG: Compound ID   C00345
CAS Registry IDs:   2464-13-3   921-62-0
PDB Chemical Component   6PG
Miscellaneous Databases and IDs:   CHEBI 16863   EINECS 213-069-9

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.