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Substance Name: N-(Carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate
RN: 149453-95-2
InChIKey: PQLOPNDFAZZBHL-BHNWBGBOSA-N

Note

  • Inhibitor of 5-enolpyruvoylshikimate-3-phosphate synthase (EC 2.5.1.19).

Molecular Formula

  • C10-H17-N-O12-P2

Molecular Weight

  • 405.187
 
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Names and Synonyms

Name of Substance

  • N-(Carboxymethyl)-N-(phosphonomethyl)-5-aminoshikimate-3-phosphate

Synonyms

  • 3-(Phosphonooxy)-4-hydroxy-5-(N-(phosphonomethyl-2-oxoethyl)amino)-1-cyclohexene-1-carboxylic acid
  • 5-((Carboxymethyl)(phosphonomethyl)amino)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid (3R-(3alpha,4alpha,5beta))-
  • CPASP

Systematic Name

  • 1-Cyclohexene-1-carboxylic acid, 5-((carboxymethyl)(phosphonomethyl)amino)-4-hydroxy-3-(phosphonooxy)-, (3R-(3alpha,4alpha,5beta))-

Registry Numbers

CAS Registry Number

  • 149453-95-2

System Generated Number

  • 0149453952

Structure Descriptors

InChI

1S/C10H17NO12P2/c12-8(13)3-11(4-24(17,18)19)6-1-5(10(15)16)2-7(9(6)14)23-25(20,21)22/h2,6-7,9,14H,1,3-4H2,(H,12,13)(H,15,16)(H2,17,18,19)(H2,20,21,22)/t6-,7-,9+/m1/s1

InChIKey

PQLOPNDFAZZBHL-BHNWBGBOSA-N

Smiles

C1(=C[C@H]([C@H]([C@@H](C1)[N@@](CP(=O)(O)O)CC(=O)O)O)OP(=O)(O)O)C(=O)O