| Properties | Image |
|---|
| MNX_ID | MNXM104428 |
 |
| reference | lipidmapsM:LMGL02010469 |
| formula | C40H72O5 |
| global charge | 0 |
| mol weight | 633.011 |
| InChIKey | UPGCCVLJHZGTQN-ADAPIJCVSA-N |
| InChI | InChI=1S/C40H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11-14,17-18,38,41H,3-10,15-16,19-37H2,1-2H3/b13-11-,14-12-,18-17-/t38-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C40H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11-14,17-18,38,41H,3-10,15-16,19-37H2,1-2H3/b13-11-,14-12-,18-17-/t38-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][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][CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42] |
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