CHEBI:60085 - phosphoethanolamine-Kdo2-lipid A(6−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name phosphoethanolamine-Kdo2-lipid A(6−)
ChEBI ID CHEBI:60085
ChEBI ASCII Name phosphoethanolamine-Kdo2-lipid A(6-)
Definition Hexaanion of phosphoethanolamine-Kdo2-lipid A having anionic carboxy and phosphate groups and a protonated primary amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C112H202N3O42P3
Net Charge -6
Average Mass 2355.71850
Monoisotopic Mass 2354.30087
InChI InChI=1S/C112H208N3O42P3/c1-7-13-19-25-31-37-38-44-50-56-62-68-94(125)147-84(66-60-54-48-42-35-29-23-17-11-5)74-96(127)151-106-98(115-92(123)73-83(65-59-53-47-41-34-28-22-16-10-4)146-93(124)67-61-55-49-43-36-30-24-18-12-6)107(143-79-89-101(130)105(150-95(126)72-82(119)64-58-52-46-40-33-27-21-15-9-3)97(108(148-89)157-159(138,139)140)114-91(122)71-81(118)63-57-51-45-39-32-26-20-14-8-2)149-90(104(106)156-158(135,136)137)80-144-111(109(131)132)76-87(100(129)102(153-111)86(121)77-116)152-112(110(133)134)75-85(120)99(128)103(154-112)88(78-117)155-160(141,142)145-70-69-113/h81-90,97-108,116-121,128-130H,7-80,113H2,1-6H3,(H,114,122)(H,115,123)(H,131,132)(H,133,134)(H,141,142)(H2,135,136,137)(H2,138,139,140)/p-6/t81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,111-,112-/m1/s1
InChIKey GSHAAWZSAOJXLM-RQBQWGHISA-H
SMILES [H][C@@]1(O[C@@](C[C@@H](O[C@@]2(C[C@@H](O)[C@@H](O)[C@]([H])(O2)[C@@H](CO)OP([O-])(=O)OCC[NH3+])C([O-])=O)[C@H]1O)(OC[C@H]1O[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)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H]1OP([O-])([O-])=O)C([O-])=O)[C@H](O)CO
ChEBI Ontology
Outgoing phosphoethanolamine-Kdo2-lipid A(6−) (CHEBI:60085) is a lipid A oxoanion (CHEBI:60086)
phosphoethanolamine-Kdo2-lipid A(6−) (CHEBI:60085) is conjugate base of phosphoethanolamine-Kdo2-lipid A (CHEBI:47762)
Incoming phosphoethanolamine-Kdo2-lipid A (CHEBI:47762) is conjugate acid of phosphoethanolamine-Kdo2-lipid A(6−) (CHEBI:60085)
Synonyms Sources
7-O-[2-aminoethoxy(hydroxy)phosphoryl]-α-Kdo-(2→4)-α-Kdo-(2→6)-lipid A UniProt
phosphoethanolamine-Kdo2-lipid A hexaanion ChEBI
Last Modified
23 July 2015