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CHEBI:87096 - lipid A 1,4'-bis(2-aminoethyl diphosphate)(2−)

ChEBI IDCHEBI:87096
ChEBI Namelipid A 1,4'-bis(2-aminoethyl diphosphate)(2−)
Stars
ASCII Namelipid A 1,4'-bis(2-aminoethyl diphosphate)(2-)
DefinitionA lipid A oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino groups of lipid A 1,4'-bis(2-aminoethyl diphosphate); major species at pH 7.3.
Last Modified18 March 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC98H188N4O31P4
Net Charge-2
Average Mass2042.475
Monoisotopic Mass2041.22190
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-])OP(=O)([O-])OCC[NH3+])[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+]
InChIInChI=1S/C98H190N4O31P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-88(109)125-82(66-60-54-48-42-35-29-23-17-11-5)76-90(111)129-96-92(102-86(107)75-81(65-59-53-47-41-34-28-22-16-10-4)124-87(108)67-61-55-49-43-36-30-24-18-12-6)97(126-83(77-103)94(96)130-136(117,118)132-134(113,114)122-71-69-99)121-78-84-93(112)95(128-89(110)74-80(105)64-58-52-46-40-33-27-21-15-9-3)91(98(127-84)131-137(119,120)133-135(115,116)123-72-70-100)101-85(106)73-79(104)63-57-51-45-39-32-26-20-14-8-2/h79-84,91-98,103-105,112H,7-78,99-100H2,1-6H3,(H,101,106)(H,102,107)(H,113,114)(H,115,116)(H,117,118)(H,119,120)/p-2/t79-,80-,81-,82-,83-,84-,91-,92-,93-,94-,95-,96-,97-,98-/m1/s1
InChIKeyDLIPKPGPWQYBIG-QCNFZHBJSA-L
ChEBI Ontology
Outgoing Relation(s)
lipid A 1,4'-bis(2-aminoethyl diphosphate)(2−) (CHEBI:87096) is a lipid A oxoanion (CHEBI:60086)
lipid A 1,4'-bis(2-aminoethyl diphosphate)(2−) (CHEBI:87096) is conjugate base of lipid A 1,4'-bis(2-aminoethyl diphosphate) (CHEBI:87424)
Incoming Relation(s)
lipid A 1,4'-bis(2-aminoethyl diphosphate) (CHEBI:87424) is conjugate acid of lipid A 1,4'-bis(2-aminoethyl diphosphate)(2−) (CHEBI:87096)
UniProt Name  Source
lipid A 1,4'-bis(2-aminoethyl diphosphate) (E. coli)UniProt
Manual XrefsDatabases
Lipid-A-1-4prime-2-aminoethyl-PPMetaCyc