| Properties | Image |
|---|
| MNX_ID | MNXM23552 |
 |
| reference | lipidmapsM:LMSP0601GF05 |
| formula | C83H150N2O35 |
| global charge | 0 |
| mol weight | 1736.092 |
| InChIKey | WFFRNOPKWGMUPL-MBUXQCAJSA-N |
| InChI | InChI=1S/C83H150N2O35/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(95)85-50(51(92)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-109-78-68(104)66(102)71(56(45-89)114-78)115-80-69(105)74(63(99)54(43-87)111-80)118-77-59(84-49(4)91)73(117-79-67(103)65(101)60(96)48(3)110-79)72(57(46-90)113-77)116-81-70(106)76(64(100)55(44-88)112-81)120-83(82(107)108)41-52(93)61(97)75(119-83)62(98)53(94)42-86/h37,39,48,50-57,59-81,86-90,92-94,96-106H,5-36,38,40-47H2,1-4H3,(H,84,91)(H,85,95)(H,107,108)/b39-37+/t48-,50+,51-,52+,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68-,69-,70-,71-,72-,73-,74+,75-,76+,77+,78-,79-,80+,81+,83+/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](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H](O[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)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C83H150N2O35/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(95)85-50(51(92)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-109-78-68(104)66(102)71(56(45-89)114-78)115-80-69(105)74(63(99)54(43-87)111-80)118-77-59(84-49(4)91)73(117-79-67(103)65(101)60(96)48(3)110-79)72(57(46-90)113-77)116-81-70(106)76(64(100)55(44-88)112-81)120-83(82(107)108)41-52(93)61(97)75(119-83)62(98)53(94)42-86/h37,39,48,50-57,59-81,86-90,92-94,96-106H,5-36,38,40-47H2,1-4H3,(H,84,91)(H,85,95)(H,107,108)/b39-37+/t48-,50+,51-,52+,53-,54-,55-,56-,57-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68-,69-,70-,71-,72-,73-,74+,75-,76+,77+,78-,79-,80+,81+,83+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:58](=[N:85][C@@H:50]([CH2:47][O:109][C@H:78]1[C@H:68]([OH:104])[C@@H:66]([OH:102])[C@H:71]([O:115][C@H:80]2[C@H:69]([OH:105])[C@@H:74]([O:118][C@H:77]3[C@H:59]([N:84]=[C:49]([CH3:4])[OH:91])[C@@H:73]([O:117][C@@H:79]4[C@@H:67]([OH:103])[C@H:65]([OH:101])[C@H:60]([OH:96])[C@@H:48]([CH3:3])[O:110]4)[C@H:72]([O:116][C@H:81]4[C@H:70]([OH:106])[C@@H:76]([O:120][C@:83]5([C:82](=[O:107])[OH:108])[CH2:41][C@H:52]([OH:93])[C@@H:61]([OH:97])[C@H:75]([C@@H:62]([C@@H:53]([CH2:42][OH:86])[OH:94])[OH:98])[O:119]5)[C@@H:64]([OH:100])[C@@H:55]([CH2:44][OH:88])[O:112]4)[C@@H:57]([CH2:46][OH:90])[O:113]3)[C@@H:63]([OH:99])[C@@H:54]([CH2:43][OH:87])[O:111]2)[C@@H:56]([CH2:45][OH:89])[O:114]1)[C@@H:51](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:92])[OH:95] |
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