| Properties | Image |
|---|
| MNX_ID | MNXM1557808 |
 |
| reference | lipidmapsM:LMGP21010015 |
| formula | C49H88NO13P |
| global charge | 0 |
| mol weight | 930.211 |
| InChIKey | JLDJWCMTUWDFLE-DYNBVKMQSA-N |
| InChI | InChI=1S/C49H88NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(53)63-43(39-59-45(52)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)40-62-64(57,58)61-38-37-50-42-49(56)48(55)47(54)44(51)41-60-49/h11,13,17-18,20-21,24,26,43-44,47-48,50-51,54-56H,3-10,12,14-16,19,22-23,25,27-42H2,1-2H3,(H,57,58)/b13-11-,18-17-,21-20-,26-24-/t43-,44-,47-,48+,49-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C49H88NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(53)63-43(39-59-45(52)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)40-62-64(57,58)61-38-37-50-42-49(56)48(55)47(54)44(51)41-60-49/h11,13,17-18,20-21,24,26,43-44,47-48,50-51,54-56H,3-10,12,14-16,19,22-23,25,27-42H2,1-2H3,(H,57,58)/b13-11-,18-17-,21-20-,26-24-/t43-,44-,47-,48+,49-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:46](=[O:53])[O:63][C@H:43]([CH2:39][O:59][C:45]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:52])[CH2:40][O:62][P:64]([OH:57])(=[O:58])[O:61][CH2:38][CH2:37][NH:50][CH2:42][C@:49]1([OH:56])[C@@H:48]([OH:55])[C@H:47]([OH:54])[C@H:44]([OH:51])[CH2:41][O:60]1 |
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