CHEBI:87097 - lipid A 4'-(2-aminoethyl diphosphate)(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name lipid A 4'-(2-aminoethyl diphosphate)(3−)
ChEBI ID CHEBI:87097
ChEBI ASCII Name lipid A 4'-(2-aminoethyl diphosphate)(3-)
Definition A lipid A oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino group of lipid A 4'-(2-aminoethyl diphosphate); major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C96H181N3O28P3
Net Charge -3
Average Mass 1918.39060
Monoisotopic Mass 1917.20609
InChI InChI=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)/p-3/t77-,78-,79-,80-,81-,82-,89-,90-,91-,92-,93-,94-,95-,96-/m1/s1
InChIKey GDGXJLFOMOVLDI-MCJXJNKNSA-K
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](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)OCC[NH3+]
ChEBI Ontology
Outgoing lipid A 4'-(2-aminoethyl diphosphate)(3−) (CHEBI:87097) is a lipid A 4ʼ-(2-aminoethyl diphosphate) oxoanion (CHEBI:134350)
lipid A 4'-(2-aminoethyl diphosphate)(3−) (CHEBI:87097) is conjugate base of lipid A 4'-(2-aminoethyl diphosphate) (CHEBI:87420)
Incoming lipid A 4'-(2-aminoethyl diphosphate) (CHEBI:87420) is conjugate acid of lipid A 4'-(2-aminoethyl diphosphate)(3−) (CHEBI:87097)
Synonym Source
lipid A 4'-(2-aminoethyl diphosphate) (E. coli) UniProt
Manual Xref Database
Lipid-A-4prime-2-aminoethyl-PP MetaCyc
View more database links
Last Modified
19 April 2017