| Properties | Image |
|---|
| MNX_ID | MNXM955231 |
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| reference | slm:000647616 |
| formula | C44H79NO9P |
| global charge | -1 |
| mol weight | 797.088 |
| InChIKey | JDHCOBFXZRJGNA-LKMVIVGJSA-M |
| InChI | InChI=1S/C44H80NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)45-37-38-52-55(49,50)53-40-41(54-43(47)6-3)39-51-44(48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h14,16,20,22,26,28,41H,4-13,15,17-19,21,23-25,27,29-40H2,1-3H3,(H,45,46)(H,49,50)/p-1/b16-14-,22-20-,28-26-/t41-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C44H80NO9P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)45-37-38-52-55(49,50)53-40-41(54-43(47)6-3)39-51-44(48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h14,16,20,22,26,28,41H,4-13,15,17-19,21,23-25,27,29-40H2,1-3H3,(H,45,46)(H,49,50)/b16-14-,22-20-,28-26-/t41-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:42](=[N:45][CH2:37][CH2:38][O:52][P:55]([OH:49])(=[O:50])[O:53][CH2:40][C@@H:41]([CH2:39][O:51][C:44]([CH2:36][CH2:34][CH2:32][CH2:30]/[CH:28]=[CH:26]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:5][CH3:2])=[O:48])[O:54][C:43]([CH2:6][CH3:3])=[O:47])[OH:46] |
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