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Substance Name: Gla 60
RN: 111247-04-2
InChIKey: OAXNNMJBIUHKBG-XCFPRLNISA-N

Note

  • Lipid A subunit analog; carries 3-O-linked C(14)-O-C(14) & 2-N-linked 3-hydroxytetradecanoyl groups.

Classification Codes

  • Adjuvants, Immunologic
  • Anti-Infective Agents
  • Antiviral Agents
  • Immunologic Factors

Molecular Formula

  • C48-H92-N-O13-P

Molecular Weight

  • 922.2228
 
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Names and Synonyms

Name of Substance

  • Gla 60

Synonym

  • Gla-60

Systematic Names

  • D-Glucose, 2-deoxy-2-(((3R)-3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-((3R)-3-((1-oxotetradecyl)oxy)tetradecanoate)
  • D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxotetradecyl)oxy)tetradecanoate), (2(R),3(R))-

Registry Numbers

CAS Registry Number

  • 111247-04-2

System Generated Number

  • 0111247042

Structure Descriptors

InChI

InChI=1S/C48H92NO13P/c1-4-7-10-13-16-19-20-23-26-29-32-35-45(55)60-41(34-31-28-25-22-18-15-12-9-6-3)37-46(56)61-47(48(43(53)39-51)62-63(57,58)59)42(38-50)49-44(54)36-40(52)33-30-27-24-21-17-14-11-8-5-2/h38,40-43,47-48,51-53H,4-37,39H2,1-3H3,(H,49,54)(H2,57,58,59)/t40-,41-,42+,43-,47-,48-/m1/s1

InChIKey

OAXNNMJBIUHKBG-XCFPRLNISA-N

Smiles

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]([C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)C=O)[C@H](OP(=O)(O)O)[C@H](O)CO