| Properties | Image |
|---|
| MNX_ID | MNXM1131409 |
 |
| reference | lipidmapsM:LMSP02010133 |
| formula | C50H99NO4 |
| global charge | 0 |
| mol weight | 778.345 |
| InChIKey | NFDWMWBNBTXMDA-WTRFWYBTSA-N |
| InChI | InChI=1S/C50H99NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-50(55)51-48(46-52)49(54)45-44-47(53)42-40-38-36-34-14-12-10-8-6-4-2/h44-45,47-49,52-54H,3-43,46H2,1-2H3,(H,51,55)/b45-44+/t47-,48+,49-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H99NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-50(55)51-48(46-52)49(54)45-44-47(53)42-40-38-36-34-14-12-10-8-6-4-2/h44-45,47-49,52-54H,3-43,46H2,1-2H3,(H,51,55)/b45-44+/t47-,48+,49-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:50](=[N:51][C@@H:48]([CH2:46][OH:52])[C@@H:49](/[CH:45]=[CH:44]/[C@@H:47]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:53])[OH:54])[OH:55] |
|