| Properties | Image |
|---|
| MNX_ID | MNXM109408 |
 |
| reference | lipidmapsM:LMGL03013305 |
| formula | C48H82O6 |
| global charge | 0 |
| mol weight | 755.178 |
| InChIKey | PPSCXVZYDITGNK-MSGJJMPXSA-N |
| InChI | InChI=1S/C48H82O6/c1-4-7-10-13-16-19-21-23-24-25-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-22-20-17-14-11-8-5-2/h7,10,16-17,19-20,23-24,27,29,45H,4-6,8-9,11-15,18,21-22,25-26,28,30-44H2,1-3H3/b10-7-,19-16-,20-17-,24-23-,29-27-/t45-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H82O6/c1-4-7-10-13-16-19-21-23-24-25-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-22-20-17-14-11-8-5-2/h7,10,16-17,19-20,23-24,27,29,45H,4-6,8-9,11-15,18,21-22,25-26,28,30-44H2,1-3H3/b10-7-,19-16-,20-17-,24-23-,29-27-/t45-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:27]=[CH:29]\[CH2:32][CH2:35][CH2:38][CH2:41][C:47](=[O:50])[O:53][CH2:44][C@@H:45]([CH2:43][O:52][C:46]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:49])[O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:26][CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:51] |
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