CHEBI:47762 - phosphoethanolamine-Kdo₂-lipid A

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ChEBI Name phosphoethanolamine-Kdo2-lipid A ChEBI ID CHEBI:47762 ChEBI ASCII Name phosphoethanolamine-Kdo2-lipid A Definition A derivative of Kdo2-lipid A having a phosphoethanolamine at position 7 of one of the Kdo residues. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C112H208N3O42P3 Net Charge 0 Average Mass 2361.76622 Monoisotopic Mass 2360.34453 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)/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-N 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)OCCN)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 (CHEBI:47762) has functional parent (Kdo)2-lipid A (E. coli) (CHEBI:27963) phosphoethanolamine-Kdo2-lipid A (CHEBI:47762) is a dodecanoate ester (CHEBI:87659) phosphoethanolamine-Kdo2-lipid A (CHEBI:47762) is a lipid As (CHEBI:25051) phosphoethanolamine-Kdo2-lipid A (CHEBI:47762) is a tetradecanoate ester (CHEBI:87691) phosphoethanolamine-Kdo2-lipid A (CHEBI:47762) is conjugate acid of phosphoethanolamine-Kdo2-lipid A(6−) (CHEBI:60085) Incoming phosphoethanolamine-Kdo2-lipid A(6−) (CHEBI:60085) is conjugate base of phosphoethanolamine-Kdo2-lipid A (CHEBI:47762) IUPAC Name 7-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→6)-2-deoxy-2-{[(3R)-3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-β-D-glucopyranosyl-(1→6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-α-D-glucopyranose Synonym Source pEtN-Kdo2-lipid A Note: (2007-11-12) See: Reynolds, C.M., Kalb, S.R., Cotter, R.J. and Raetz, C.R.H. (2005) A phosphoethanolamine transferase specific for the outer 3-deoxy-D-manno-octulosonic acid residue of Escherichia coli lipopolysaccharide. J. Biol. Chem. 280, 21202-21211. [PMID:15795227] ChEBI Last Modified 03 September 2015