| Properties | Image |
|---|
| MNX_ID | MNXM1131681 |
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| reference | lipidmapsM:LMSP02040165 |
| formula | C72H139NO6 |
| global charge | 0 |
| mol weight | 1114.905 |
| InChIKey | XFCZEJKQOXXAIC-RGORTSGESA-N |
| InChI | InChI=1S/C72H139NO6/c1-3-5-7-9-11-13-15-17-19-36-39-43-47-51-55-59-63-69(75)72(78)68(67-74)73-70(76)64-60-56-52-48-44-40-37-33-31-29-27-25-23-21-20-22-24-26-28-30-32-34-38-42-46-50-54-58-62-66-79-71(77)65-61-57-53-49-45-41-35-18-16-14-12-10-8-6-4-2/h12,14,18,35,68-69,72,74-75,78H,3-11,13,15-17,19-34,36-67H2,1-2H3,(H,73,76)/b14-12-,35-18-/t68-,69+,72-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C72H139NO6/c1-3-5-7-9-11-13-15-17-19-36-39-43-47-51-55-59-63-69(75)72(78)68(67-74)73-70(76)64-60-56-52-48-44-40-37-33-31-29-27-25-23-21-20-22-24-26-28-30-32-34-38-42-46-50-54-58-62-66-79-71(77)65-61-57-53-49-45-41-35-18-16-14-12-10-8-6-4-2/h12,14,18,35,68-69,72,74-75,78H,3-11,13,15-17,19-34,36-67H2,1-2H3,(H,73,76)/b14-12-,35-18-/t68-,69+,72-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:36][CH2:39][CH2:43][CH2:47][CH2:51][CH2:55][CH2:59][CH2:63][C@H:69]([C@H:72]([C@H:68]([CH2:67][OH:74])[N:73]=[C:70]([CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:37][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][CH2:62][CH2:66][O:79][C:71]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41]/[CH:35]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:77])[OH:76])[OH:78])[OH:75] |
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