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Substance Name: 5-Oxo-L-proline, compound with riboflavin (2:1)
RN: 94020-94-7
InChIKey: WKHWSMKXOPMDKI-WTZMDINDSA-N

Molecular Formula

  • C17-H20-N4-O6.2C5-H7-N-O3

Molecular Weight

  • 634.5956
 
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Names and Synonyms

Synonym

  • EINECS 301-389-2

Systematic Name

  • 5-Oxo-L-proline, compound with riboflavin (2:1)

Registry Numbers

CAS Registry Number

  • 94020-94-7

System Generated Number

  • 0094020947

Molecular Formulas

Molecular Formula

  • C17-H20-N4-O6.2C5-H7-N-O3

Molecular Formula Fragments

  • C17-H20-N4-O6
  • C5-H7-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20N4O6.2C5H7NO3/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15;2*7-4-2-1-3(6-4)5(8)9/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27);2*3H,1-2H2,(H,6,7)(H,8,9)/t11-,12+,14-;2*3-/m100/s1

InChIKey

WKHWSMKXOPMDKI-WTZMDINDSA-N

Smiles

Cc1cc2c(nc3c(=O)[nH]c(=O)nc3n2C[C@@H](O)[C@@H](O)[C@@H](O)CO)cc1C.C(=O)([C@H]1NC(=O)CC1)O.C(=O)([C@H]1NC(=O)CC1)O