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Phosphoethanolamine KDO(2)-lipid (A)
MNXM7670 is deprecated and here replaced by MNXM731245
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM731245 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 5 |
in models (compartimentalized) |
5 |
|
formula | C112H204N3O42P3 |
charge | -4 |
mass | 2356.31542 |
reference | biggM:enlipa |
InChIKey | GSHAAWZSAOJXLM-UHFFFAOYSA-J |
InChI | InChI=1S/C112H208N3O42P3/c1-7-13-19-25-31-37-38-44-50-56-62-68-94(125)147-84(66-60-54-48-42-35-29-23-17-11-5)74-96(127)151-106-98(115-92(123)73-83(65-59-53-47-41-34-28-22-16-10-4)146-93(124)67-61-55-49-43-36-30-24-18-12-6)107(143-79-89-101(130)105(150-95(126)72-82(119)64-58-52-46-40-33-27-21-15-9-3)97(108(148-89)157-159(138,139)140)114-91(122)71-81(118)63-57-51-45-39-32-26-20-14-8-2)149-90(104(106)156-158(135,136)137)80-144-111(109(131)132)76-87(100(129)102(153-111)86(121)77-116)152-112(110(133)134)75-85(120)99(128)103(154-112)88(78-117)155-160(141,142)145-70-69-113/h81-90,97-108,116-121,128-130H,7-80,113H2,1-6H3,(H,114,122)(H,115,123)(H,131,132)(H,133,134)(H,141,142)(H2,135,136,137)(H2,138,139,140)/p-4 |
SMILES | CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OCC2OC(OP(=O)([O-])O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C2O)OC(COC2(C(=O)[O-])CC(OC3(C(=O)[O-])CC(O)C(O)C(C(CO)OP(=O)([O-])OCC[NH3+])O3)C(O)C(C(O)CO)O2)C1OP(=O)([O-])O |
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Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
Identifier | Description |
bigg.metabolite:enlipa biggM:enlipa
| Phosphoethanolamine KDO(2)-lipid (A)
|
biggM:M_enlipa
| secondary/obsolete/fantasy identifier
|