| Properties | Image |
|---|
| MNX_ID | MNXM1131674 |
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| reference | lipidmapsM:LMSP02040158 |
| formula | C69H133NO6 |
| global charge | 0 |
| mol weight | 1072.824 |
| InChIKey | YSLZOJSWCIUCMN-HMXBEGBLSA-N |
| InChI | InChI=1S/C69H133NO6/c1-3-5-7-9-11-13-15-17-19-33-36-40-44-48-52-56-60-66(72)69(75)65(64-71)70-67(73)61-57-53-49-45-41-37-34-30-28-26-24-22-20-21-23-25-27-29-31-35-39-43-47-51-55-59-63-76-68(74)62-58-54-50-46-42-38-32-18-16-14-12-10-8-6-4-2/h12,14,18,32,65-66,69,71-72,75H,3-11,13,15-17,19-31,33-64H2,1-2H3,(H,70,73)/b14-12-,32-18-/t65-,66+,69-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H133NO6/c1-3-5-7-9-11-13-15-17-19-33-36-40-44-48-52-56-60-66(72)69(75)65(64-71)70-67(73)61-57-53-49-45-41-37-34-30-28-26-24-22-20-21-23-25-27-29-31-35-39-43-47-51-55-59-63-76-68(74)62-58-54-50-46-42-38-32-18-16-14-12-10-8-6-4-2/h12,14,18,32,65-66,69,71-72,75H,3-11,13,15-17,19-31,33-64H2,1-2H3,(H,70,73)/b14-12-,32-18-/t65-,66+,69-/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][CH2:33][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][CH2:60][C@H:66]([C@H:69]([C@H:65]([CH2:64][OH:71])[N:70]=[C:67]([CH2:61][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:34][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][CH2:55][CH2:59][CH2:63][O:76][C:68]([CH2:62][CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38]/[CH:32]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:74])[OH:73])[OH:75])[OH:72] |
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