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Substance Name: Monophosphoryl lipid A
RN: 143110-73-0
InChIKey: JDEGQXOBEAJRSW-QXFLKPNTSA-N

Molecular Formula

  • C96-H181-N2-O21-P

Molecular Weight

  • 1730.4529
 
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Names and Synonyms

Results Name

  • Monophosphoryl lipid A

Synonym

  • Monophosphoryl lipid A

Systematic Names

  • D-Glucose, 2-deoxy-6-O-(2-deoxy-2-(((3R)-1-oxo-3-((1-oxododecyl)oxy)tetradecyl)amino)-3-O-((3R)-1-oxo-3-((1-oxotetradecyl)oxy)tetradecyl)-4-O-phosphono-beta-D-glucopyranosyl)-2-(((3R)-1-oxo-3-((1-oxohexadecyl)oxy)tetradecyl)amino)-
  • D-Glucose, 2-deoxy-6-O-(2-deoxy-2-((1-oxo-3-((1-oxododecyl)oxy)tetradecyl)amino)-3-O-(1-oxo-3-((1-oxotetradecyl)oxy)tetradecyl)-4-O-phosphono-beta-D-glucopyranosyl)-2-((2-oxo-3-((1-oxohexadecyl)oxy)tetradecy)amino)-, (2(R),6(2(R),3(R)))-

Registry Numbers

CAS Registry Number

  • 143110-73-0

System Generated Number

  • 0143110730

Structure Descriptors

InChI

1S/C96H181N2O21P/c1-7-13-19-25-31-37-39-40-42-48-54-59-65-70-87(104)114-79(67-61-55-49-43-33-27-21-15-9-3)73-85(102)97-82(76-99)92(108)93(109)83(101)78-113-96-91(98-86(103)74-80(68-62-56-50-44-34-28-22-16-10-4)115-88(105)71-64-58-52-46-36-30-24-18-12-6)95(94(84(77-100)117-96)119-120(110,111)112)118-90(107)75-81(69-63-57-51-45-35-29-23-17-11-5)116-89(106)72-66-60-53-47-41-38-32-26-20-14-8-2/h76,79-84,91-96,100-101,108-109H,7-75,77-78H2,1-6H3,(H,97,102)(H,98,103)(H2,110,111,112)/t79-,80-,81-,82+,83-,84-,91-,92-,93-,94-,95-,96-/m1/s1

InChIKey

JDEGQXOBEAJRSW-QXFLKPNTSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)O)O