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CHEBI:90971 - lipid A-F

Default Structure
ChEBI IDCHEBI:90971
ChEBI Namelipid A-F
Stars
DefinitionA lipid A derivative, prepared from Campylobacter jejuni HS:19, in which each of its two glucosaminyl units is substituted on nitrogen by a 3-(2-hydroxytetracosanoyloxy)octadecanoyl unit.
Last Modified25 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC96H186N2O23P2
Net Charge0
Average Mass1798.483
Monoisotopic Mass1797.29216
SMILESCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)O[C@H](CCCCCCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCCCCCC)OC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1O
InChIInChI=1S/C96H186N2O23P2/c1-5-9-13-17-21-25-29-33-35-37-39-41-43-45-49-53-57-61-65-69-73-81(100)93(107)116-79(71-67-63-59-55-51-47-31-27-23-19-15-11-7-3)75-85(102)97-87-90(105)89(104)84(119-96(87)121-123(112,113)114)78-115-95-88(91(106)92(83(77-99)118-95)120-122(109,110)111)98-86(103)76-80(72-68-64-60-56-52-48-32-28-24-20-16-12-8-4)117-94(108)82(101)74-70-66-62-58-54-50-46-44-42-40-38-36-34-30-26-22-18-14-10-6-2/h79-84,87-92,95-96,99-101,104-106H,5-78H2,1-4H3,(H,97,102)(H,98,103)(H2,109,110,111)(H2,112,113,114)/t79-,80-,81?,82?,83-,84-,87-,88-,89-,90-,91-,92-,95-,96-/m1/s1
InChIKeyRDVCBRPAGIWJJK-NSMUABNGSA-N
ChEBI Ontology
Outgoing Relation(s)
lipid A-F (CHEBI:90971) is a lipid As (CHEBI:25051)
IUPAC Name 
2-deoxy-6-O-[2-deoxy-2-({(3R)-3-[(2-hydroxytetracosanoyl)oxy]octadecanoyl}amino)-4-O-phosphono-β-D-glucopyranosyl]-2-({(3R)-3-[(2-hydroxytetracosanoyl)oxy]octadecanoyl}amino)-1-O-phosphono-α-D-glucopyranose
Synonym  Source
2-deoxy-6-O-[2-deoxy-2-{[(3R)-3-(2-hydroxytetracosanoyloxy)octadecanoyl]amino}-4-O-phosphono-β-D-glucosyl]-2-{[(3R)-3-(2-hydroxytetracosanoyloxy)octadecanoyl]amino}-1-O-phosphono-α-D-glucoseChEBI
Citations