| Properties | Image |
|---|
| MNX_ID | MNXM104469 |
 |
| reference | lipidmapsM:LMGL02010543 |
| formula | C44H76O5 |
| global charge | 0 |
| mol weight | 685.087 |
| InChIKey | DZKRHXPDRRFIDM-XQJQUASOSA-N |
| InChI | InChI=1S/C44H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-42(40-45)41-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22-24,27,29,42,45H,3-10,12,14-16,18,21,25-26,28,30-41H2,1-2H3/b13-11-,19-17-,23-22-,24-20-,29-27-/t42-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H76O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-42(40-45)41-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22-24,27,29,42,45H,3-10,12,14-16,18,21,25-26,28,30-41H2,1-2H3/b13-11-,19-17-,23-22-,24-20-,29-27-/t42-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:44](=[O:47])[O:49][C@@H:42]([CH2:40][OH:45])[CH2:41][O:48][C:43]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:24]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46] |
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