| Properties | Image |
|---|
| MNX_ID | MNXM109540 |
 |
| reference | lipidmapsM:LMGL03013432 |
| formula | C52H86O6 |
| global charge | 0 |
| mol weight | 807.254 |
| InChIKey | KXBLBXUSWVHUQE-FDBOZVMZSA-N |
| InChI | InChI=1S/C52H86O6/c1-4-7-10-13-16-19-21-23-25-26-27-29-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-28-24-22-20-17-14-11-8-5-2/h7,10,14,16-17,19,22-25,27,29,33,36,49H,4-6,8-9,11-13,15,18,20-21,26,28,30-32,34-35,37-48H2,1-3H3/b10-7-,17-14-,19-16-,24-22-,25-23-,29-27-,36-33-/t49-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C52H86O6/c1-4-7-10-13-16-19-21-23-25-26-27-29-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-28-24-22-20-17-14-11-8-5-2/h7,10,14,16-17,19,22-25,27,29,33,36,49H,4-6,8-9,11-13,15,18,20-21,26,28,30-32,34-35,37-48H2,1-3H3/b10-7-,17-14-,19-16-,24-22-,25-23-,29-27-,36-33-/t49-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:29]\[CH2:30]/[CH:33]=[CH:36]\[CH2:39][CH2:42][CH2:45][C:51](=[O:54])[O:57][CH2:48][C@@H:49]([CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:53])[O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28]/[CH:24]=[CH:22]\[CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:55] |
|