| Properties | Image |
|---|
| MNX_ID | MNXM29403 |
 |
| reference | lipidmapsM:LMSP0601FH04 |
| formula | C88H156N4O40 |
| global charge | 0 |
| mol weight | 1910.204 |
| InChIKey | LJFPRJAMTCVJLP-NZDCXHLJSA-N |
| InChI | InChI=1S/C88H156N4O40/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-61(106)91-51(52(102)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)48-121-82-72(114)71(113)76(60(46-98)125-82)127-83-73(115)79(67(109)56(42-94)122-83)128-81-65(90-50(4)101)70(112)75(59(45-97)124-81)126-84-74(116)80(68(110)57(43-95)123-84)132-88(86(119)120)40-54(104)64(92-62(107)47-99)78(131-88)69(111)58(44-96)129-87(85(117)118)39-53(103)63(89-49(3)100)77(130-87)66(108)55(105)41-93/h35,37,51-60,63-84,93-99,102-105,108-116H,5-34,36,38-48H2,1-4H3,(H,89,100)(H,90,101)(H,91,106)(H,92,107)(H,117,118)(H,119,120)/b37-35+/t51-,52+,53-,54-,55+,56+,57+,58+,59+,60+,63+,64+,65+,66+,67-,68-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80-,81-,82+,83-,84-,87+,88-/m0/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](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)O5)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C88H156N4O40/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-61(106)91-51(52(102)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)48-121-82-72(114)71(113)76(60(46-98)125-82)127-83-73(115)79(67(109)56(42-94)122-83)128-81-65(90-50(4)101)70(112)75(59(45-97)124-81)126-84-74(116)80(68(110)57(43-95)123-84)132-88(86(119)120)40-54(104)64(92-62(107)47-99)78(131-88)69(111)58(44-96)129-87(85(117)118)39-53(103)63(89-49(3)100)77(130-87)66(108)55(105)41-93/h35,37,51-60,63-84,93-99,102-105,108-116H,5-34,36,38-48H2,1-4H3,(H,89,100)(H,90,101)(H,91,106)(H,92,107)(H,117,118)(H,119,120)/b37-35+/t51-,52+,53-,54-,55+,56+,57+,58+,59+,60+,63+,64+,65+,66+,67-,68-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80-,81-,82+,83-,84-,87+,88-/m0/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][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:61](=[N:91][C@@H:51]([CH2:48][O:121][C@H:82]1[C@H:72]([OH:114])[C@@H:71]([OH:113])[C@H:76]([O:127][C@H:83]2[C@H:73]([OH:115])[C@@H:79]([O:128][C@H:81]3[C@H:65]([N:90]=[C:50]([CH3:4])[OH:101])[C@@H:70]([OH:112])[C@H:75]([O:126][C@H:84]4[C@H:74]([OH:116])[C@@H:80]([O:132][C@:88]5([C:86](=[O:119])[OH:120])[CH2:40][C@H:54]([OH:104])[C@@H:64]([N:92]=[C:62]([CH2:47][OH:99])[OH:107])[C@H:78]([C@@H:69]([C@@H:58]([CH2:44][OH:96])[O:129][C@:87]6([C:85](=[O:117])[OH:118])[CH2:39][C@H:53]([OH:103])[C@@H:63]([N:89]=[C:49]([CH3:3])[OH:100])[C@H:77]([C@@H:66]([C@@H:55]([CH2:41][OH:93])[OH:105])[OH:108])[O:130]6)[OH:111])[O:131]5)[C@@H:68]([OH:110])[C@@H:57]([CH2:43][OH:95])[O:123]4)[C@@H:59]([CH2:45][OH:97])[O:124]3)[C@@H:67]([OH:109])[C@@H:56]([CH2:42][OH:94])[O:122]2)[C@@H:60]([CH2:46][OH:98])[O:125]1)[C@@H:52](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:102])[OH:106] |
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