| Properties | Image |
|---|
| MNX_ID | MNXM112911 |
 |
| reference | lipidmapsM:LMGL03016411 |
| formula | C62H110O6 |
| global charge | 0 |
| mol weight | 951.556 |
| InChIKey | CXHMCDUKQPRKDM-NAZJCJBISA-N |
| InChI | InChI=1S/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,27,29-31,33-34,39,42,59H,4-17,19-20,22-26,28,32,35-38,40-41,43-58H2,1-3H3/b21-18-,31-30-,33-27-,34-29-,42-39-/t59-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C62H110O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-35-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h18,21,27,29-31,33-34,39,42,59H,4-17,19-20,22-26,28,32,35-38,40-41,43-58H2,1-3H3/b21-18-,31-30-,33-27-,34-29-,42-39-/t59-/m1/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][CH2:28]/[CH:30]=[CH:31]\[CH2:32][CH2:35][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:61](=[O:64])[O:67][CH2:58][C@@H:59]([CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45]/[CH:42]=[CH:39]\[CH2:36]/[CH:33]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:63])[O:68][C:62]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38]/[CH:34]=[CH:29]\[CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:65] |
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