| Properties | Image |
|---|
| MNX_ID | MNXM150125 |
 |
| reference | lipidmapsM:LMSP02040011 |
| formula | C52H101NO4 |
| global charge | 0 |
| mol weight | 804.383 |
| InChIKey | HSSDQCMTKYUCID-CWEFCRPCSA-N |
| InChI | InChI=1S/C52H101NO4/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-51(55)53-49(50(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)48-57-52(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3/h42,45,49-50,54H,4-41,43-44,46-48H2,1-3H3,(H,53,55)/b45-42+/t49-,50+/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)CCCCCCCCCCCCCCC)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H101NO4/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-51(55)53-49(50(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)48-57-52(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3/h42,45,49-50,54H,4-41,43-44,46-48H2,1-3H3,(H,53,55)/b45-42+/t49-,50+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:26][CH2:29][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][C:51](=[N:53][C@@H:49]([CH2:48][O:57][C:52]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:28][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[C@@H:50](/[CH:45]=[CH:42]/[CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:54])[OH:55] |
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