| Properties | Image |
|---|
| MNX_ID | MNXM113229 |
 |
| reference | lipidmapsM:LMGL03013121 |
| formula | C60H112O6 |
| global charge | 0 |
| mol weight | 929.55 |
| InChIKey | LGBGVYJTTFWKID-ZEOGNXKRSA-N |
| InChI | InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h28,30-31,33,57H,4-27,29,32,34-56H2,1-3H3/b31-28-,33-30-/t57-/m0/s1 |
| SMILES | CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C60H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h28,30-31,33,57H,4-27,29,32,34-56H2,1-3H3/b31-28-,33-30-/t57-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25]/[CH:28]=[CH:31]\[CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][C:58](=[O:61])[O:64][CH2:55][C@@H:57]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62])[O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36]/[CH:33]=[CH:30]\[CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:63] |
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