EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:87420 - lipid A 4'-(2-aminoethyl diphosphate)

ChEBI IDCHEBI:87420
ChEBI Namelipid A 4'-(2-aminoethyl diphosphate)
Stars
DefinitionA member of the class of lipid As in which the 4' phosphate group of lipid A is replaced by 2-aminoethyl diphosphate.
Last Modified20 January 2017
SubmitterSteve
DownloadsMolfile
FormulaC96H184N3O28P3
Net Charge0
Average Mass1921.443
Monoisotopic Mass1920.22792
SMILESCCCCCCCCCCCCCC(=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](OP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(=O)(O)OP(=O)(O)OCCN
InChIInChI=1S/C96H184N3O28P3/c1-7-13-19-25-31-37-38-44-50-56-62-68-86(106)120-80(66-60-54-48-42-35-29-23-17-11-5)74-88(108)124-94-90(99-84(104)73-79(65-59-53-47-41-34-28-22-16-10-4)119-85(105)67-61-55-49-43-36-30-24-18-12-6)95(121-81(75-100)92(94)125-130(115,116)127-129(113,114)118-70-69-97)117-76-82-91(109)93(123-87(107)72-78(102)64-58-52-46-40-33-27-21-15-9-3)89(96(122-82)126-128(110,111)112)98-83(103)71-77(101)63-57-51-45-39-32-26-20-14-8-2/h77-82,89-96,100-102,109H,7-76,97H2,1-6H3,(H,98,103)(H,99,104)(H,113,114)(H,115,116)(H2,110,111,112)/t77-,78-,79-,80-,81-,82-,89-,90-,91-,92-,93-,94-,95-,96-/m1/s1
InChIKeyGDGXJLFOMOVLDI-MCJXJNKNSA-N
ChEBI Ontology
Outgoing Relation(s)
lipid A 4'-(2-aminoethyl diphosphate) (CHEBI:87420) is a dodecanoate ester (CHEBI:87659)
lipid A 4'-(2-aminoethyl diphosphate) (CHEBI:87420) is a lipid As (CHEBI:25051)
lipid A 4'-(2-aminoethyl diphosphate) (CHEBI:87420) is a tetradecanoate ester (CHEBI:87691)
lipid A 4'-(2-aminoethyl diphosphate) (CHEBI:87420) is conjugate acid of lipid A 4'-(2-aminoethyl diphosphate)(3−) (CHEBI:87097)
Incoming Relation(s)
lipid A 4'-(2-aminoethyl diphosphate)(3−) (CHEBI:87097) is conjugate base of lipid A 4'-(2-aminoethyl diphosphate) (CHEBI:87420)
IUPAC Name 
6-O-{4-O-[{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-2-{[(3R)-3-(dodecanoyloxy)tetradecanoyl]amino}-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-β-D-glucopyranosyl}-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose
Manual XrefsDatabases
Lipid-A-4prime-2-aminoethyl-PPMetaCyc