| Properties | Image |
|---|
| MNX_ID | MNXM24150 |
 |
| reference | lipidmapsM:LMSP0506AI01 |
| formula | C82H146N4O38 |
| global charge | 0 |
| mol weight | 1796.06 |
| InChIKey | RKBYDGMFVVJATH-XVGSYAQRSA-N |
| InChI | InChI=1S/C82H146N4O38/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-46(96)45(86-54(97)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)40-111-79-68(108)66(106)72(52(39-92)118-79)121-82-70(110)75(62(102)53(119-82)41-112-76-56(84-43(4)94)64(104)71(51(38-91)117-76)120-80-67(107)65(105)59(99)48(35-88)115-80)124-81-69(109)74(61(101)50(37-90)116-81)123-78-57(85-44(5)95)73(60(100)49(36-89)114-78)122-77-55(83-42(3)93)63(103)58(98)47(34-87)113-77/h30,32,45-53,55-82,87-92,96,98-110H,6-29,31,33-41H2,1-5H3,(H,83,93)(H,84,94)(H,85,95)(H,86,97)/b32-30+/t45-,46+,47+,48+,49+,50+,51+,52+,53+,55+,56+,57+,58-,59-,60-,61-,62-,63+,64+,65-,66+,67+,68+,69+,70+,71+,72+,73+,74-,75-,76+,77+,78-,79+,80-,81+,82-/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]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[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]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C82H146N4O38/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-46(96)45(86-54(97)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)40-111-79-68(108)66(106)72(52(39-92)118-79)121-82-70(110)75(62(102)53(119-82)41-112-76-56(84-43(4)94)64(104)71(51(38-91)117-76)120-80-67(107)65(105)59(99)48(35-88)115-80)124-81-69(109)74(61(101)50(37-90)116-81)123-78-57(85-44(5)95)73(60(100)49(36-89)114-78)122-77-55(83-42(3)93)63(103)58(98)47(34-87)113-77/h30,32,45-53,55-82,87-92,96,98-110H,6-29,31,33-41H2,1-5H3,(H,83,93)(H,84,94)(H,85,95)(H,86,97)/b32-30+/t45-,46+,47+,48+,49+,50+,51+,52+,53+,55+,56+,57+,58-,59-,60-,61-,62-,63+,64+,65-,66+,67+,68+,69+,70+,71+,72+,73+,74-,75-,76+,77+,78-,79+,80-,81+,82-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28]/[CH:30]=[CH:32]/[C@H:46]([C@H:45]([CH2:40][O:111][C@H:79]1[C@H:68]([OH:108])[C@@H:66]([OH:106])[C@H:72]([O:121][C@H:82]2[C@H:70]([OH:110])[C@@H:75]([O:124][C@@H:81]3[C@H:69]([OH:109])[C@@H:74]([O:123][C@H:78]4[C@H:57]([N:85]=[C:44]([CH3:5])[OH:95])[C@@H:73]([O:122][C@@H:77]5[C@H:55]([N:83]=[C:42]([CH3:3])[OH:93])[C@@H:63]([OH:103])[C@@H:58]([OH:98])[C@@H:47]([CH2:34][OH:87])[O:113]5)[C@@H:60]([OH:100])[C@@H:49]([CH2:36][OH:89])[O:114]4)[C@@H:61]([OH:101])[C@@H:50]([CH2:37][OH:90])[O:116]3)[C@@H:62]([OH:102])[C@@H:53]([CH2:41][O:112][C@H:76]3[C@H:56]([N:84]=[C:43]([CH3:4])[OH:94])[C@@H:64]([OH:104])[C@H:71]([O:120][C@H:80]4[C@H:67]([OH:107])[C@@H:65]([OH:105])[C@@H:59]([OH:99])[C@@H:48]([CH2:35][OH:88])[O:115]4)[C@@H:51]([CH2:38][OH:91])[O:117]3)[O:119]2)[C@@H:52]([CH2:39][OH:92])[O:118]1)[N:86]=[C:54]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:97])[OH:96] |
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