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Substance Name: 6'-O-(6-Aminocaproyl)-4'-O-monophosphoryl lipid A
RN: 144710-90-7
InChIKey: ZJJXFJIGNRGLSI-UHFFFAOYSA-N

Molecular Formula

  • C100-H188-N3-O23-P

Molecular Weight

  • 1831.5572
 
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Names and Synonyms

Name of Substance

  • 6'-O-(6-Aminocaproyl)-4'-O-monophosphoryl lipid A

Synonym

  • Cap-mla

Systematic Name

  • D-Glucose, 6-O-(6-O-(6-amino-1-oxohexyl)-2-deoxy-2-((1-oxo-14-((1-oxododecyl)oxy)tetradecyl)amino)-3-O-(1-oxo-14-((1-oxotetradecyl)oxy)tetradecyl)-4-O-phosphono-beta-D-glucopyranosyl)-2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 3-(3-hydroxytetradecanoate)

Registry Numbers

CAS Registry Number

  • 144710-90-7

System Generated Number

  • 0144710907

Structure Descriptors

InChI

1S/C100H188N3O23P/c1-5-9-13-17-21-25-28-37-45-53-62-72-91(111)120-77-67-56-48-40-32-27-30-38-46-54-63-74-93(113)124-99-95(103-88(108)70-60-51-43-36-29-26-31-39-47-55-66-76-119-90(110)71-61-52-44-35-24-20-16-12-8-4)100(123-87(98(99)126-127(116,117)118)82-121-92(112)73-64-57-65-75-101)122-81-86(107)96(115)97(125-94(114)79-84(106)69-59-50-42-34-23-19-15-11-7-3)85(80-104)102-89(109)78-83(105)68-58-49-41-33-22-18-14-10-6-2/h80,83-87,95-100,105-107,115H,5-79,81-82,101H2,1-4H3,(H,102,109)(H,103,108)(H2,116,117,118)

InChIKey

ZJJXFJIGNRGLSI-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC(=O)CCCCCN)OCC(C(C(C(C=O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)O)NC(=O)CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC