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Substance Name: Agrocinopine
RN: 77193-02-3
InChIKey: MQDWDXNPTQNPOZ-ZOVFPKIHSA-N

Note

  • Opine phosphorylated sugar synthesized by crown gall tumors & utilized as nutrient source by bacteria responsible for infection.

Molecular Formula

  • C17-H31-O18-P

Molecular Weight

  • 554.388
 
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Names and Synonyms

Name of Substance

  • Agrocinopine

Synonym

  • Agrocinopine A

Systematic Name

  • L-Arabinose, 2-(dihydrogen phosphate), 4'-ester with beta-D-fructo-furanosyl-alpha-D-glucopyranoside

Registry Numbers

CAS Registry Number

  • 77193-02-3

System Generated Number

  • 0077193023

Structure Descriptors

InChI

1S/C17H31O18P/c18-1-6(23)10(24)8(3-20)34-36(29,30)35-14-9(4-21)32-17(5-22,15(14)28)33-16-13(27)12(26)11(25)7(2-19)31-16/h3,6-16,18-19,21-28H,1-2,4-5H2,(H,29,30)/t6-,7+,8-,9+,10-,11+,12-,13+,14+,15-,16+,17-/m0/s1

InChIKey

MQDWDXNPTQNPOZ-ZOVFPKIHSA-N

Smiles

O([P@@](=O)(O[C@H]1[C@@H]([C@](O[C@@H]1CO)(CO)O[C@@H]1[C@@H]([C@H]([C@H](O)[C@H](CO)O1)O)O)O)O)[C@H]([C@@H](O)[C@@H](O)CO)C=O