| Properties | Image |
|---|
| MNX_ID | MNXM112416 |
 |
| reference | lipidmapsM:LMGL03015977 |
| formula | C64H112O6 |
| global charge | 0 |
| mol weight | 977.594 |
| InChIKey | AOJVJNVMROQHGU-AEYSIHRWSA-N |
| InChI | InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31-34,39,42,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,35-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-32-,42-39-/t61-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,31-34,39,42,61H,4-6,8-9,11-15,17-18,20-24,26-27,29-30,35-38,40-41,43-60H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-32-,42-39-/t61-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[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][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][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:67] |
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