Eritoran sodium (JAN)

Properties Image Occurences in reactions MNX_ID MNXM104913 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C66H127N2NaO19P2 charge 0 mass 1336.8406 reference keggD:D09573 InChIKey FOJNYGYYSVOERR-LHHXSGQKSA-N InChI InChI=1S/C66H126N2O19P2.Na.H/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 SMILES CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCCCCCCCCCC)[C@@H]2O)O[C@H](COC)[C@@H](OP(=O)(O)O)[C@@H]1OCC[C@@H](CCCCCCC)OC.[NaH]

Parent-child relations graph

Deprecated MNXref IDs graph