CHEBI:134256 - lipid A (E. coli)

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ChEBI Name lipid A (E. coli) ChEBI ID CHEBI:134256 ChEBI ASCII Name lipid A (E. coli) Definition The glycolipid moiety of the lipopolysaccharide produced by E. coli. 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 C94H178N2O25P2 Net Charge 0 Average Mass 1798.369 Monoisotopic Mass 1797.21939 InChI InChI=1S/C94H178N2O25P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)115-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)119-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)114-83(102)67-61-55-49-43-36-30-24-18-12-6)93(116-79(73-97)90(92)120-122(107,108)109)113-74-80-89(106)91(118-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(94(117-80)121-123(110,111)112)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2/h75-80,87-94,97-99,106H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,107,108,109)(H2,110,111,112)/t75-,76-,77-,78-,79-,80-,87-,88-,89-,90-,91-,92-,93-,94-/m1/s1 InChIKey GZQKNULLWNGMCW-PWQABINMSA-N SMILES [C@H]1(OP(=O)(O)O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O[C@@H]1CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O Metabolite of Species Details Escherichia coli (NCBI:txid562) See: PubMed Roles Classification Biological Role(s): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. View more via ChEBI Ontology ChEBI Ontology Outgoing lipid A (E. coli) (CHEBI:134256) has role Escherichia coli metabolite (CHEBI:76971) lipid A (E. coli) (CHEBI:134256) is a dodecanoate ester (CHEBI:87659) lipid A (E. coli) (CHEBI:134256) is a lipid A (CHEBI:47040) lipid A (E. coli) (CHEBI:134256) is a tetradecanoate ester (CHEBI:87691) lipid A (E. coli) (CHEBI:134256) is conjugate acid of lipid A(4−) (E. coli) (CHEBI:134257) Incoming β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) has functional parent lipid A (E. coli) (CHEBI:134256) (Kdo)2-lipid A (E. coli) (CHEBI:27963) has functional parent lipid A (E. coli) (CHEBI:134256) (Kdo)2-lipid A 1-diphosphate (E. coli) (CHEBI:85630) has functional parent lipid A (E. coli) (CHEBI:134256) lipid A(4−) (E. coli) (CHEBI:134257) is conjugate base of lipid A (E. coli) (CHEBI:134256) IUPAC Name 2-deoxy-6-O-(2-deoxy-2-[(3R)-3-(dodecanoyloxy)tetradecanamido]-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-β-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-α-D-glucopyranose Synonym Source E. coli lipid A ChEBI Registry Number Type Source 11056969 Reaxys Registry Number Reaxys Citation Type Source 25867074 PubMed citation Europe PMC Last Modified 20 January 2017