| Properties | Image |
|---|
| MNX_ID | MNXM1131618 |
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| reference | lipidmapsM:LMSP02040100 |
| formula | C69H131NO6 |
| global charge | 0 |
| mol weight | 1070.808 |
| InChIKey | KKRKMXWKYVZMJJ-YPWQFWTISA-N |
| InChI | InChI=1S/C69H131NO6/c1-3-5-7-9-11-13-15-17-31-36-40-44-48-52-56-60-69(75)76-63-57-53-49-45-41-37-33-30-28-26-24-22-20-19-21-23-25-27-29-32-35-39-43-47-51-55-59-68(74)70-66(64-71)67(73)62-61-65(72)58-54-50-46-42-38-34-18-16-14-12-10-8-6-4-2/h11,13,17,31,61-62,65-67,71-73H,3-10,12,14-16,18-30,32-60,63-64H2,1-2H3,(H,70,74)/b13-11-,31-17-,62-61+/t65-,66+,67-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/[C@H](O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C69H131NO6/c1-3-5-7-9-11-13-15-17-31-36-40-44-48-52-56-60-69(75)76-63-57-53-49-45-41-37-33-30-28-26-24-22-20-19-21-23-25-27-29-32-35-39-43-47-51-55-59-68(74)70-66(64-71)67(73)62-61-65(72)58-54-50-46-42-38-34-18-16-14-12-10-8-6-4-2/h11,13,17,31,61-62,65-67,71-73H,3-10,12,14-16,18-30,32-60,63-64H2,1-2H3,(H,70,74)/b13-11-,31-17-,62-61+/t65-,66+,67-/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:31]\[CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][CH2:56][CH2:60][C:69](=[O:75])[O:76][CH2:63][CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:32][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][CH2:55][CH2:59][C:68](=[N:70][C@@H:66]([CH2:64][OH:71])[C@@H:67](/[CH:62]=[CH:61]/[C@@H:65]([CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:72])[OH:73])[OH:74] |
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