Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Deacyl-pentaacyl monophosphoryl lipid A
RN: 220048-47-5
UNII: 48XF5E5EUK
InChIKey: YGEHEZQWLHXUFE-WXWHZAQZSA-N

Molecular Formula

  • C80-H151-N2-O20-P

Molecular Weight

  • 1492.0409
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3-Deacyl-pentaacyl monophosphoryl lipid A

Synonyms

  • 3-Deacyl-pentaacyl monophosphoryl lipid A
  • alpha-D-Glucopyranose, 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)-3-hydroxy-1-oxotetradecyl)amino)-
  • UNII-48XF5E5EUK

Registry Numbers

CAS Registry Number

  • 220048-47-5

FDA UNII

  • 48XF5E5EUK

System Generated Number

  • 0220048475

Structure Descriptors

InChI

1S/C80H151N2O20P/c1-6-11-16-21-26-31-32-37-42-47-52-57-71(88)98-65(55-50-45-40-35-29-24-19-14-9-4)60-72(89)101-78-74(82-69(86)59-64(54-49-44-39-34-28-23-18-13-8-3)97-70(87)56-51-46-41-36-30-25-20-15-10-5)80(100-66(61-83)77(78)102-103(93,94)95)96-62-67-75(90)76(91)73(79(92)99-67)81-68(85)58-63(84)53-48-43-38-33-27-22-17-12-7-2/h63-67,73-80,83-84,90-92H,6-62H2,1-5H3,(H,81,85)(H,82,86)(H2,93,94,95)/t63-,64-,65-,66-,67-,73-,74-,75-,76-,77-,78-,79+,80-/m1/s1

InChIKey

YGEHEZQWLHXUFE-WXWHZAQZSA-N

Smiles

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1OP(=O)(O)O