CHEBI:134258 - β-L-Ara4N-lipid A (E. coli)

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ChEBI Name β-L-Ara4N-lipid A (E. coli) ChEBI ID CHEBI:134258 ChEBI ASCII Name beta-L-Ara4N-lipid A (E. coli) Definition A β-L-Ara4N-lipid A that is isolated from 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 C99H187N3O28P2 Net Charge 0 Average Mass 1929.499 Monoisotopic Mass 1928.27764 InChI InChI=1S/C99H187N3O28P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-86(109)123-79(66-60-54-48-42-35-29-23-17-11-5)72-88(111)127-96-90(102-84(107)71-78(65-59-53-47-41-34-28-22-16-10-4)122-85(108)67-61-55-49-43-36-30-24-18-12-6)97(124-81(73-103)94(96)128-132(118,119)130-99-93(114)91(112)80(100)74-120-99)121-75-82-92(113)95(126-87(110)70-77(105)64-58-52-46-40-33-27-21-15-9-3)89(98(125-82)129-131(115,116)117)101-83(106)69-76(104)63-57-51-45-39-32-26-20-14-8-2/h76-82,89-99,103-105,112-114H,7-75,100H2,1-6H3,(H,101,106)(H,102,107)(H,118,119)(H2,115,116,117)/t76-,77-,78-,79-,80+,81-,82-,89-,90-,91+,92-,93-,94-,95-,96-,97-,98-,99-/m1/s1 InChIKey YMFWPVNDZMQXAY-ZHOUPIGSSA-N SMILES [C@H]1(OP(=O)(O)O[C@H]2OC[C@@H]([C@@H]([C@H]2O)O)N)[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]3[C@H]([C@@H]([C@H]([C@H](O3)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O Roles Classification Biological Role(s): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. (via beta-L-Ara4N-lipid A ) View more via ChEBI Ontology ChEBI Ontology Outgoing β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) has functional parent lipid A (E. coli) (CHEBI:134256) β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) has role Escherichia coli metabolite (CHEBI:76971) β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) is a β-L-Ara4N-lipid A (CHEBI:47763) β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) is a dodecanoate ester (CHEBI:87659) β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) is a tetradecanoate ester (CHEBI:87691) β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) is conjugate acid of β-L-Ara4N-lipid A(2−) (E. coli) (CHEBI:134259) Incoming β-L-Ara4N-lipid A(2−) (E. coli) (CHEBI:134259) is conjugate base of β-L-Ara4N-lipid A (E. coli) (CHEBI:134258) IUPAC Name 4-O-[4-amino-4-deoxy-β-L-arabinopyranosyloxy(hydroxy)phosphoryl]-2-deoxy-6-O-(2-deoxy-2-[(3R)-3-(dodecanoyloxy)tetradecanamido]-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 β-L-Ara4N-lipid A ChEBI Citation Type Source 10788469 PubMed citation Europe PMC Last Modified 20 January 2017