| Properties | Image |
|---|
| MNX_ID | MNXM110057 |
 |
| reference | lipidmapsM:LMGL03013886 |
| formula | C51H90O6 |
| global charge | 0 |
| mol weight | 799.275 |
| InChIKey | AHHVCGCWYPVJFP-NOCZPTNHSA-N |
| InChI | InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,48H,4-13,15,18,20-22,27-47H2,1-3H3/b17-14-,19-16-,25-23-,26-24-/t48-/m1/s1 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C51H90O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h14,16-17,19,23-26,48H,4-13,15,18,20-22,27-47H2,1-3H3/b17-14-,19-16-,25-23-,26-24-/t48-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:53])[O:56][CH2:47][C@@H:48]([CH2:46][O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52])[O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27]/[CH:25]=[CH:23]\[CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:54] |
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