Stearoyl-KDO2-lipid IVA

Properties Image Occurences in reactions MNX_ID MNXM814720 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C114H212N2O38P2 charge 0 mass 2279.41933 reference keggC:C21999 InChIKey OXNHDTXEWUNRPI-FUXFHGLKSA-N InChI InChI=1S/C114H212N2O38P2/c1-6-11-16-21-26-31-36-39-40-43-48-53-58-63-68-73-96(127)145-87(72-67-62-57-52-47-42-38-33-28-23-18-13-8-3)77-95(126)116-100-108(149-98(129)76-86(121)71-66-61-56-50-45-35-30-25-20-15-10-5)106(153-155(137,138)139)93(83-144-113(111(133)134)79-91(102(131)105(151-113)90(124)81-118)150-114(112(135)136)78-88(122)101(130)104(152-114)89(123)80-117)147-109(100)143-82-92-103(132)107(148-97(128)75-85(120)70-65-60-55-49-44-34-29-24-19-14-9-4)99(110(146-92)154-156(140,141)142)115-94(125)74-84(119)69-64-59-54-51-46-41-37-32-27-22-17-12-7-2/h84-93,99-110,117-124,130-132H,6-83H2,1-5H3,(H,115,125)(H,116,126)(H,133,134)(H,135,136)(H2,137,138,139)(H2,140,141,142)/t84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,113-,114-/m1/s1 SMILES CCCCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph