| Properties | Image |
|---|
| MNX_ID | MNXM113027 |
 |
| reference | lipidmapsM:LMGL03016509 |
| formula | C58H96O6 |
| global charge | 0 |
| mol weight | 889.4 |
| InChIKey | VLXVAHDYCGXEAG-WURHHKFPSA-N |
| InChI | InChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-31,37,40,55H,4-7,10,13-16,19,22-25,32-36,38-39,41-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,31-28-,40-37-/t55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H96O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-31,37,40,55H,4-7,10,13-16,19,22-25,32-36,38-39,41-54H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,31-28-,40-37-/t55-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25]/[CH:28]=[CH:31]\[CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:57](=[O:60])[O:63][CH2:54][C@@H:55]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:59])[O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43]/[CH:40]=[CH:37]\[CH2:34]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:61] |
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