CHEBI:87242 - palmitoyllipid A

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ChEBI Name palmitoyllipid A ChEBI ID CHEBI:87242 Definition A member of the class of lipid As that is lipid A in which the free OH group on the N-hydroxytetradecanoyl group is carrying a palimitoyl group. 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 C110H208N2O26P2 Net Charge 0 Average Mass 2036.778 Monoisotopic Mass 2035.44906 InChI InChI=1S/C110H208N2O26P2/c1-8-15-22-29-36-43-45-46-48-55-62-68-75-82-98(117)130-91(78-71-64-57-50-39-32-25-18-11-4)85-96(115)111-103-107(135-101(120)84-90(114)77-70-63-56-49-38-31-24-17-10-3)105(122)95(134-110(103)138-140(126,127)128)89-129-109-104(112-97(116)86-92(79-72-65-58-51-40-33-26-19-12-5)131-99(118)81-74-67-60-53-42-35-28-21-14-7)108(106(94(88-113)133-109)137-139(123,124)125)136-102(121)87-93(80-73-66-59-52-41-34-27-20-13-6)132-100(119)83-76-69-61-54-47-44-37-30-23-16-9-2/h90-95,103-110,113-114,122H,8-89H2,1-7H3,(H,111,115)(H,112,116)(H2,123,124,125)(H2,126,127,128)/t90-,91-,92-,93-,94-,95-,103-,104-,105-,106-,107-,108-,109-,110-/m1/s1 InChIKey VOXDTCSXQHOYKC-XGEOUJBZSA-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)OC(CCCCCCCCCCCCCCC)=O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O Metabolite of Species Details Salmonella enterica (NCBI:txid28901) See: PubMed Salmonella typhimurium (NCBI:txid90371) See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing palmitoyllipid A (CHEBI:87242) has role bacterial metabolite (CHEBI:76969) palmitoyllipid A (CHEBI:87242) is a dodecanoate ester (CHEBI:87659) palmitoyllipid A (CHEBI:87242) is a hexadecanoate ester (CHEBI:25835) palmitoyllipid A (CHEBI:87242) is a lipid As (CHEBI:25051) palmitoyllipid A (CHEBI:87242) is a tetradecanoate ester (CHEBI:87691) palmitoyllipid A (CHEBI:87242) is conjugate acid of palmitoyllipid A(4−) (CHEBI:87048) Incoming palmitoyllipid A(4−) (CHEBI:87048) is conjugate base of palmitoyllipid A (CHEBI:87242) IUPAC Name 2-deoxy-6-O-(2-deoxy-2-{[(3R)-3-(dodecanoyloxy)tetradecanoyl]amino}-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-β-D-glucopyranosyl)-2-{[(3R)-3-(hexadecanoyloxy)tetradecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-1-O-phosphono-α-D-glucopyranose Synonyms Sources hepta-acyl lipid A ChEBI heptaacyl lipid A ChEBI hexadecanoyllipid A ChEBI Manual Xref Database HEPTA-ACYLATED-LIPID-A MetaCyc View more database links Registry Number Type Source 9382574 Reaxys Registry Number Reaxys Citations Types Sources 11013210 PubMed citation Europe PMC 12537693 PubMed citation Europe PMC Last Modified 20 January 2017