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Phosphatidylglycerophosphate (dihexadecanoyl, n-C16:0)
MNXM32180 is deprecated and here replaced by MNXM734044
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM734044 |
 |
| reference | biggM:pgp160 |
| formula | C38H74O13P2 |
| global charge | -2 |
| mol weight | 800.945 |
| InChIKey | ONJBJMDJKLHMEK-UHFFFAOYSA-L |
| InChI | InChI=1S/C38H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(40)47-33-36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39H,3-34H2,1-2H3,(H,45,46)(H2,42,43,44)/p-2 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(O)COP(=O)([O-])O)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C38H76O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(40)47-33-36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39H,3-34H2,1-2H3,(H,45,46)(H2,42,43,44)/t35?,36? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:37](=[O:40])[O:47][CH2:33][CH:36]([CH2:34][O:50][P:53]([OH:45])(=[O:46])[O:49][CH2:32][CH:35]([CH2:31][O:48][P:52]([OH:42])([OH:43])=[O:44])[OH:39])[O:51][C:38]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:41] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 5 |
| in models (compartimentalized) |
6 |
|