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Cold adapted KDO(2)-lipid (A)
MNXM6016 is deprecated and here replaced by MNXM738728
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM738728 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 5 |
in models (compartimentalized) |
5 |
|
formula | C114H204N2O39P2 |
charge | -4 |
mass | 2287.35384 |
reference | biggM:lipa_cold |
InChIKey | YMYMIWUIGJUAIZ-UHFFFAOYSA-J |
InChI | InChI=1S/C114H208N2O39P2/c1-7-13-19-25-31-37-39-40-42-48-54-59-65-71-95(126)145-85(69-63-57-51-45-35-29-23-17-11-5)75-94(125)116-100-108(150-98(129)76-86(70-64-58-52-46-36-30-24-18-12-6)146-96(127)72-66-60-53-47-41-38-32-26-20-14-8-2)106(154-156(137,138)139)92(82-144-113(111(133)134)78-90(102(131)105(152-113)89(123)80-118)151-114(112(135)136)77-87(121)101(130)104(153-114)88(122)79-117)148-109(100)143-81-91-103(132)107(149-97(128)74-84(120)68-62-56-50-44-34-28-22-16-10-4)99(110(147-91)155-157(140,141)142)115-93(124)73-83(119)67-61-55-49-43-33-27-21-15-9-3/h37,39,83-92,99-110,117-123,130-132H,7-36,38,40-82H2,1-6H3,(H,115,124)(H,116,125)(H,133,134)(H,135,136)(H2,137,138,139)(H2,140,141,142)/p-4 |
SMILES | CCCCCCC=CCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(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(O)CO)O3)C(O)C(C(O)CO)O2)C(OP(=O)([O-])O)C1OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
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Parent-child relations graph |
Deprecated MNXref IDs graph |