CHEBI:68609 - eritoran

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ChEBI Name eritoran ChEBI ID CHEBI:68609 Definition A lipid A derivative used for the treatment of severe sepsis. 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 Wikipedia License Read full article at Wikipedia Formula C66H126N2O19P2 Net Charge 0 Average Mass 1313.65620 Monoisotopic Mass 1312.84300 InChI InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1 InChIKey BPSMYQFMCXXNPC-MFCPCZTFSA-N SMILES CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@H](O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP(O)(O)=O)[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]2NC(=O)CCCCCCCCC\C=C/CCCCCC)[C@@H](O)[C@@H]1OCCCCCCCCCC)OP(O)(O)=O ChEBI Ontology Outgoing eritoran (CHEBI:68609) is a lipid As (CHEBI:25051) eritoran (CHEBI:68609) is conjugate acid of eritoran(4−) (CHEBI:68611) Incoming eritoran(4−) (CHEBI:68611) is conjugate base of eritoran (CHEBI:68609) IUPAC Name 3-O-decyl-2-deoxy-6-O-{2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[(11E)-octadec-11-enoylamino]-4-O-phosphonato-β-D-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-O-phosphono-α-D-glucopyranose Manual Xref Database Eritoran Wikipedia View more database links Registry Number Type Source 9470515 Reaxys Registry Number Reaxys Citations Types Sources 21221186 PubMed citation Europe PMC 21382909 PubMed citation Europe PMC Last Modified 22 February 2017