| Properties | Image |
|---|
| MNX_ID | MNXM1131685 |
 |
| reference | lipidmapsM:LMSP02040169 |
| formula | C72H139NO5 |
| global charge | 0 |
| mol weight | 1098.906 |
| InChIKey | JXQLVHUORAGGLK-WFEFRARCSA-N |
| InChI | InChI=1S/C72H139NO5/c1-3-5-7-9-11-13-15-17-37-42-46-50-54-58-62-66-72(77)78-67-63-59-55-51-47-43-39-36-34-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-33-35-38-41-45-49-53-57-61-65-71(76)73-69(68-74)70(75)64-60-56-52-48-44-40-16-14-12-10-8-6-4-2/h11,13,17,37,69-70,74-75H,3-10,12,14-16,18-36,38-68H2,1-2H3,(H,73,76)/b13-11-,37-17-/t69-,70+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C72H139NO5/c1-3-5-7-9-11-13-15-17-37-42-46-50-54-58-62-66-72(77)78-67-63-59-55-51-47-43-39-36-34-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-33-35-38-41-45-49-53-57-61-65-71(76)73-69(68-74)70(75)64-60-56-52-48-44-40-16-14-12-10-8-6-4-2/h11,13,17,37,69-70,74-75H,3-10,12,14-16,18-36,38-68H2,1-2H3,(H,73,76)/b13-11-,37-17-/t69-,70+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:37]\[CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][CH2:62][CH2:66][C:72](=[O:77])[O:78][CH2:67][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:38][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][CH2:65][C:71](=[N:73][C@@H:69]([CH2:68][OH:74])[C@@H:70]([CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:75])[OH:76] |
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