Marvin  01291313162D          

 10  9  0  0  0  0            999 V2000
   15.6197  -10.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6197  -11.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7788  -12.4874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4609  -12.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3112  -11.8188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1614  -12.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0026  -11.8188    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.0086  -10.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8548  -12.4988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6560  -13.1077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
> <ID>
CHEBI:27744

> <NAME>
glyphosate

> <DEFINITION>
A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5510; CHEBI:24423; CHEBI:43013

> <SYNONYM>
Glyphosate

> <IUPAC_NAME>
N-(phosphonomethyl)glycine

> <BRAND_NAME>
Roundup

> <FORMULA>
C3H8NO5P

> <MASS>
169.07310

> <MONOISOTOPIC_MASS>
169.01401

> <CHARGE>
0

> <SMILES>
OC(=O)CNCP(O)(O)=O

> <INCHI>
InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)

> <INCHIKEY>
XDDAORKBJWWYJS-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2045054

> <CAS_REGISTRY_NUMBER>
1071-83-6

> <GMELIN_REGISTRY_NUMBER>
279222

> <CHEMIDPLUS>
1071-83-6

> <DRUGBANK_ACCESSION>
DB04539

> <KEGG_COMPOUND_ACCESSION>
C01705

> <PDBECHEM_ACCESSION>
GPJ

> <PESTICIDES_ACCESSION>
glyphosate

> <WIKIPEDIA_ACCESSION>
Glyphosate

> <PUBMED_CITATION>
27758090; 28266132; 28474816; 28643882; 28711546; 30471482; 30875550; 31030151; 31342895

$$$$