| Properties | Image |
|---|
| MNX_ID | MNXM25510 |
 |
| reference | lipidmapsM:LMSP0504AG06 |
| formula | C88H160N2O36 |
| global charge | 0 |
| mol weight | 1822.226 |
| InChIKey | UYUHZQDWKIOOTD-SARSSYBFSA-N |
| InChI | InChI=1S/C88H160N2O36/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-60(98)90-53(54(97)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)49-113-83-74(111)70(107)76(58(47-94)120-83)121-87-75(112)79(65(102)56(45-92)117-87)124-82-61(89-52(5)96)78(77(59(48-95)119-82)122-84-71(108)67(104)62(99)50(3)114-84)123-88-81(126-85-72(109)68(105)63(100)51(4)115-85)80(66(103)57(46-93)118-88)125-86-73(110)69(106)64(101)55(44-91)116-86/h40,42,50-51,53-59,61-88,91-95,97,99-112H,6-39,41,43-49H2,1-5H3,(H,89,96)(H,90,98)/b42-40+/t50-,51-,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64+,65+,66+,67-,68-,69+,70-,71+,72+,73-,74-,75-,76-,77-,78-,79+,80+,81-,82+,83-,84-,85-,86-,87+,88+/m1/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C88H160N2O36/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-60(98)90-53(54(97)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)49-113-83-74(111)70(107)76(58(47-94)120-83)121-87-75(112)79(65(102)56(45-92)117-87)124-82-61(89-52(5)96)78(77(59(48-95)119-82)122-84-71(108)67(104)62(99)50(3)114-84)123-88-81(126-85-72(109)68(105)63(100)51(4)115-85)80(66(103)57(46-93)118-88)125-86-73(110)69(106)64(101)55(44-91)116-86/h40,42,50-51,53-59,61-88,91-95,97,99-112H,6-39,41,43-49H2,1-5H3,(H,89,96)(H,90,98)/b42-40+/t50-,51-,53+,54-,55-,56-,57-,58-,59-,61-,62-,63-,64+,65+,66+,67-,68-,69+,70-,71+,72+,73-,74-,75-,76-,77-,78-,79+,80+,81-,82+,83-,84-,85-,86-,87+,88+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:60](=[N:90][C@@H:53]([CH2:49][O:113][C@H:83]1[C@H:74]([OH:111])[C@@H:70]([OH:107])[C@H:76]([O:121][C@H:87]2[C@H:75]([OH:112])[C@@H:79]([O:124][C@H:82]3[C@H:61]([N:89]=[C:52]([CH3:5])[OH:96])[C@@H:78]([O:123][C@H:88]4[C@H:81]([O:126][C@@H:85]5[C@@H:72]([OH:109])[C@H:68]([OH:105])[C@H:63]([OH:100])[C@@H:51]([CH3:4])[O:115]5)[C@@H:80]([O:125][C@@H:86]5[C@H:73]([OH:110])[C@@H:69]([OH:106])[C@@H:64]([OH:101])[C@@H:55]([CH2:44][OH:91])[O:116]5)[C@@H:66]([OH:103])[C@@H:57]([CH2:46][OH:93])[O:118]4)[C@H:77]([O:122][C@@H:84]4[C@@H:71]([OH:108])[C@H:67]([OH:104])[C@H:62]([OH:99])[C@@H:50]([CH3:3])[O:114]4)[C@@H:59]([CH2:48][OH:95])[O:119]3)[C@@H:65]([OH:102])[C@@H:56]([CH2:45][OH:92])[O:117]2)[C@@H:58]([CH2:47][OH:94])[O:120]1)[C@@H:54](/[CH:42]=[CH:40]/[CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:97])[OH:98] |
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