| Properties | Image |
|---|
| MNX_ID | MNXM1131612 |
 |
| reference | lipidmapsM:LMSP02040094 |
| formula | C66H125NO6 |
| global charge | 0 |
| mol weight | 1028.727 |
| InChIKey | MSJFQSUKRGKTEM-UTBQTDIISA-N |
| InChI | InChI=1S/C66H125NO6/c1-3-5-7-9-11-13-15-17-28-33-37-41-45-49-53-57-66(72)73-60-54-50-46-42-38-34-30-27-25-23-21-19-18-20-22-24-26-29-32-36-40-44-48-52-56-65(71)67-63(61-68)64(70)59-58-62(69)55-51-47-43-39-35-31-16-14-12-10-8-6-4-2/h11,13,17,28,58-59,62-64,68-70H,3-10,12,14-16,18-27,29-57,60-61H2,1-2H3,(H,67,71)/b13-11-,28-17-,59-58+/t62-,63+,64-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H125NO6/c1-3-5-7-9-11-13-15-17-28-33-37-41-45-49-53-57-66(72)73-60-54-50-46-42-38-34-30-27-25-23-21-19-18-20-22-24-26-29-32-36-40-44-48-52-56-65(71)67-63(61-68)64(70)59-58-62(69)55-51-47-43-39-35-31-16-14-12-10-8-6-4-2/h11,13,17,28,58-59,62-64,68-70H,3-10,12,14-16,18-27,29-57,60-61H2,1-2H3,(H,67,71)/b13-11-,28-17-,59-58+/t62-,63+,64-/m1/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:28]\[CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][C:66](=[O:72])[O:73][CH2:60][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:29][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][C:65](=[N:67][C@@H:63]([CH2:61][OH:68])[C@@H:64](/[CH:59]=[CH:58]/[C@@H:62]([CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:69])[OH:70])[OH:71] |
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