| Properties | Image |
|---|
| MNX_ID | MNXM26512 |
 |
| reference | lipidmapsM:LMGL00000122 |
| formula | C50H85NO7 |
| global charge | 0 |
| mol weight | 812.23 |
| InChIKey | PTUFUUIZCRSNJA-PVIULKQGSA-N |
| InChI | InChI=1S/C50H85NO7/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-49(53)58-47(44-56-43-46(50(54)55)42-51(3,4)5)45-57-48(52)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,46-47H,6-7,9,11-13,18-19,23,27-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21- |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC(COCC(C[N+](C)(C)C)C(=O)[O-])COC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H85NO7/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-49(53)58-47(44-56-43-46(50(54)55)42-51(3,4)5)45-57-48(52)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,46-47H,6-7,9,11-13,18-19,23,27-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-/t46?,47? |
 |
| SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:49](=[O:53])[O:58][CH:47]([CH2:44][O:56][CH2:43][CH:46]([CH2:42][N+:51]([CH3:3])([CH3:4])[CH3:5])[C:50](=[O:54])[O-:55])[CH2:45][O:57][C:48]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:26]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:52] |
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