CHEBI:34724 - diphospho hexaacyl lipid A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name diphospho hexaacyl lipid A
ChEBI ID CHEBI:34724
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C94H178N2O25P2
Net Charge 0
Average Mass 1798.369
Monoisotopic Mass 1797.21939
InChI InChI=1S/C94H178N2O25P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)115-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)119-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)114-83(102)67-61-55-49-43-36-30-24-18-12-6)93(116-79(73-97)90(92)120-122(107,108)109)113-74-80-89(106)91(118-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(94(117-80)121-123(110,111)112)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2/h75-80,87-94,97-99,106H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,107,108,109)(H2,110,111,112)/t75?,76?,77?,78?,79-,80-,87-,88-,89-,90-,91-,92-,93-,94-/m1/s1
InChIKey GZQKNULLWNGMCW-NZGSIBBDSA-N
SMILES CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)CC(O)CCCCCCCCCCC)[C@@H](OC(=O)CC(O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(O)(O)=O
ChEBI Ontology
Outgoing diphospho hexaacyl lipid A (CHEBI:34724) is a lipid As (CHEBI:25051)
Synonym Source
Diphosphoryl hexaacyl lipid A KEGG COMPOUND
Manual Xref Database
C13908 KEGG COMPOUND
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Last Modified
28 July 2014