| Properties | Image |
|---|
| MNX_ID | MNXM150115 |
 |
| reference | lipidmapsM:LMSP02040014 |
| formula | C56H109NO4 |
| global charge | 0 |
| mol weight | 860.491 |
| InChIKey | VSMWVWNYHPKBIA-BDDUEVIGSA-N |
| InChI | InChI=1S/C56H109NO4/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-56(60)61-52-53(54(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)57-55(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h46,49,53-54,58H,4-45,47-48,50-52H2,1-3H3,(H,57,59)/b49-46+/t53-,54+/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H109NO4/c1-4-7-10-13-16-19-22-25-27-28-30-33-36-39-42-45-48-51-56(60)61-52-53(54(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)57-55(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h46,49,53-54,58H,4-45,47-48,50-52H2,1-3H3,(H,57,59)/b49-46+/t53-,54+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:28][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:56](=[O:60])[O:61][CH2:52][C@@H:53]([C@@H:54](/[CH:49]=[CH:46]/[CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:58])[N:57]=[C:55]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:59] |
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