| Properties | Image |
|---|
| MNX_ID | MNXM113331 |
 |
| reference | lipidmapsM:LMGL03016754 |
| formula | C64H106O6 |
| global charge | 0 |
| mol weight | 971.546 |
| InChIKey | ZBXRRBFVJUXYRT-IAIZYMPXSA-N |
| InChI | InChI=1S/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-30,32,34-35,37,39-40,42,46,49,61H,4-15,18,21-24,27,31,33,36,38,41,43-45,47-48,50-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-/t61-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-26,28-30,32,34-35,37,39-40,42,46,49,61H,4-15,18,21-24,27,31,33,36,38,41,43-45,47-48,50-60H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,34-32-,35-30-,40-37-,42-39-,49-46-/t61-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:32]=[CH:34]\[CH2:36]/[CH:39]=[CH:42]\[CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][C:63](=[O:66])[O:69][CH2:60][C@@H:61]([CH2:59][O:68][C:62]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38]/[CH:35]=[CH:30]\[CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:65])[O:70][C:64]([CH2:58][CH2:55][CH2:52]/[CH:49]=[CH:46]\[CH2:43]/[CH:40]=[CH:37]\[CH2:33]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:67] |
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