| Properties | Image |
|---|
| MNX_ID | MNXM156323 |
 |
| reference | lipidmapsM:LMSP0501AA52 |
| formula | C36H67NO8 |
| global charge | 0 |
| mol weight | 641.931 |
| InChIKey | OXBDGBUHGWPKJE-XXDKQNKESA-N |
| InChI | InChI=1S/C36H67NO8/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-32(40)37-29(30(39)25-23-21-19-17-12-10-8-6-4-2)28-44-36-35(43)34(42)33(41)31(27-38)45-36/h19,21,23,25,29-31,33-36,38-39,41-43H,3-18,20,22,24,26-28H2,1-2H3,(H,37,40)/b21-19+,25-23+/t29-,30+,31+,33+,34-,35+,36+/m0/s1 |
| SMILES | CCCCCCC/C=C/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C36H67NO8/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-32(40)37-29(30(39)25-23-21-19-17-12-10-8-6-4-2)28-44-36-35(43)34(42)33(41)31(27-38)45-36/h19,21,23,25,29-31,33-36,38-39,41-43H,3-18,20,22,24,26-28H2,1-2H3,(H,37,40)/b21-19+,25-23+/t29-,30+,31+,33+,34-,35+,36+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14][CH2:15][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][C:32](=[N:37][C@@H:29]([CH2:28][O:44][C@H:36]1[C@H:35]([OH:43])[C@@H:34]([OH:42])[C@H:33]([OH:41])[C@@H:31]([CH2:27][OH:38])[O:45]1)[C@@H:30](/[CH:25]=[CH:23]/[CH:21]=[CH:19]/[CH2:17][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:39])[OH:40] |
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