| Properties | Image |
|---|
| MNX_ID | MNXM184006 |
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| reference | slm:000030387 |
| formula | C45H80NO8P |
| global charge | 0 |
| mol weight | 794.108 |
| InChIKey | CPIIFJMUIUAZQU-KHPLNXGVSA-N |
| InChI | InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-19,21-23,43H,3-10,12,15,20,24-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14+,19-17-,22-21-,23-18-/t43-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13-14,16-19,21-23,43H,3-10,12,15,20,24-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14+,19-17-,22-21-,23-18-/t43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:47])[O:51][CH2:41][C@H:43]([CH2:42][O:53][P:55]([OH:49])(=[O:50])[O:52][CH2:40][CH2:39][NH2:46])[O:54][C:45]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:23]=[CH:18]\[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:48] |
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