ChEBI


 11 10  0  0  0  0  0  0  0  0  1 V2000
   11.6058   -7.3625    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.7954   -7.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4299   -7.3729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6196   -6.5763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5954   -8.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0644   -6.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368   -7.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6092   -6.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368   -8.2039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8782   -7.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6092   -6.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
> <ID>
CHEBI:17050

> <NAME>
3-phosphoglyceric acid

> <DEFINITION>
A monophosphoglyceric acid having the phospho group at the 3-position. It is an intermediate in metabolic pathways like glycolysis and calvin cycle.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40016; CHEBI:11882; CHEBI:24345; CHEBI:1659

> <SYNONYM>
Glyceric acid 3-phosphate; glycerate 3-phosphates; Glycerate 3-phosphate; DL-Glycerate 3-phosphate; 3-phosphoglyceric acid; 3-Phosphoglycerate; 3-Phosphoglycerate; 3-(dihydrogen phosphate)Glyceric acid; 3-(dihydrogen phosphate)Glycerate

> <IUPAC_NAME>
2-hydroxy-3-(phosphonooxy)propanoic acid

> <FORMULA>
C3H7O7P

> <MASS>
186.05724

> <MONOISOTOPIC_MASS>
185.99294

> <CHARGE>
0

> <SMILES>
OC(COP(O)(O)=O)C(O)=O

> <INCHI>
InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)

> <INCHIKEY>
OSJPPGNTCRNQQC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
820-11-1

> <REAXYS_REGISTRY_NUMBER>
1726829

> <CHEMIDPLUS>
820-11-1

> <DRUGBANK_ACCESSION>
DB04510

> <KEGG_COMPOUND_ACCESSION>
C00597

> <KNAPSACK_ACCESSION>
C00007286

> <WIKIPEDIA_ACCESSION>
3-Phosphoglyceric_acid

> <PUBMED_CITATION>
17439666; 22735334

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