| Properties | Image |
|---|
| MNX_ID | MNXM1131697 |
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| reference | lipidmapsM:LMSP02040181 |
| formula | C68H127NO5 |
| global charge | 0 |
| mol weight | 1038.766 |
| InChIKey | WPVILYKZXNWUGH-XJXKCVAISA-N |
| InChI | InChI=1S/C68H127NO5/c1-3-5-7-9-11-13-15-17-33-38-42-46-50-54-58-62-68(73)74-63-59-55-51-47-43-39-35-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-34-37-41-45-49-53-57-61-67(72)69-65(64-70)66(71)60-56-52-48-44-40-36-16-14-12-10-8-6-4-2/h8,10-11,13,17,33,56,60,65-66,70-71H,3-7,9,12,14-16,18-32,34-55,57-59,61-64H2,1-2H3,(H,69,72)/b10-8-,13-11-,33-17-,60-56+/t65-,66+/m0/s1 |
| SMILES | CCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H127NO5/c1-3-5-7-9-11-13-15-17-33-38-42-46-50-54-58-62-68(73)74-63-59-55-51-47-43-39-35-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-34-37-41-45-49-53-57-61-67(72)69-65(64-70)66(71)60-56-52-48-44-40-36-16-14-12-10-8-6-4-2/h8,10-11,13,17,33,56,60,65-66,70-71H,3-7,9,12,14-16,18-32,34-55,57-59,61-64H2,1-2H3,(H,69,72)/b10-8-,13-11-,33-17-,60-56+/t65-,66+/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:33]\[CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][CH2:58][CH2:62][C:68](=[O:73])[O:74][CH2:63][CH2:59][CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][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][CH2:34][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][CH2:61][C:67](=[N:69][C@@H:65]([CH2:64][OH:70])[C@@H:66](/[CH:60]=[CH:56]/[CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:16][CH2:14][CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])[OH:71])[OH:72] |
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