| Properties | Image |
|---|
| MNX_ID | MNXM49494 |
 |
| reference | lipidmapsM:LMGL02010083 |
| formula | C40H70O5 |
| global charge | 0 |
| mol weight | 630.995 |
| InChIKey | RKPDDZOHSKGACR-YSDWAIKOSA-N |
| InChI | InChI=1S/C40H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h10-13,16-19,38,41H,3-9,14-15,20-37H2,1-2H3/b12-10-,13-11-,18-16-,19-17-/t38-/m0/s1 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C40H70O5/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h10-13,16-19,38,41H,3-9,14-15,20-37H2,1-2H3/b12-10-,13-11-,18-16-,19-17-/t38-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:43])[O:45][C@@H:38]([CH2:36][OH:41])[CH2:37][O:44][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:18]=[CH:16]\[CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:42] |
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