| Properties | Image |
|---|
| MNX_ID | MNXM27589 |
 |
| reference | lipidmapsM:LMSP0504AH01 |
| formula | C80H143N3O36 |
| global charge | 0 |
| mol weight | 1723.009 |
| InChIKey | GSXYVDPKBGHSQX-BSCVBORWSA-N |
| InChI | InChI=1S/C80H143N3O36/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-46(91)45(83-52(92)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)40-106-76-66(104)63(101)68(50(38-87)113-76)114-79-67(105)71(58(96)48(36-85)110-79)117-75-54(82-44(6)90)70(69(51(39-88)112-75)115-77-64(102)61(99)55(93)41(3)107-77)116-80-73(119-78-65(103)62(100)56(94)42(4)108-78)72(59(97)49(37-86)111-80)118-74-53(81-43(5)89)60(98)57(95)47(35-84)109-74/h31,33,41-42,45-51,53-80,84-88,91,93-105H,7-30,32,34-40H2,1-6H3,(H,81,89)(H,82,90)(H,83,92)/b33-31+/t41-,42-,45+,46-,47-,48-,49-,50-,51-,53-,54-,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+/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]5NC(C)=O)[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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C80H143N3O36/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-46(91)45(83-52(92)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)40-106-76-66(104)63(101)68(50(38-87)113-76)114-79-67(105)71(58(96)48(36-85)110-79)117-75-54(82-44(6)90)70(69(51(39-88)112-75)115-77-64(102)61(99)55(93)41(3)107-77)116-80-73(119-78-65(103)62(100)56(94)42(4)108-78)72(59(97)49(37-86)111-80)118-74-53(81-43(5)89)60(98)57(95)47(35-84)109-74/h31,33,41-42,45-51,53-80,84-88,91,93-105H,7-30,32,34-40H2,1-6H3,(H,81,89)(H,82,90)(H,83,92)/b33-31+/t41-,42-,45+,46-,47-,48-,49-,50-,51-,53-,54-,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+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29]/[CH:31]=[CH:33]/[C@H:46]([C@H:45]([CH2:40][O:106][C@H:76]1[C@H:66]([OH:104])[C@@H:63]([OH:101])[C@H:68]([O:114][C@H:79]2[C@H:67]([OH:105])[C@@H:71]([O:117][C@H:75]3[C@H:54]([N:82]=[C:44]([CH3:6])[OH:90])[C@@H:70]([O:116][C@H:80]4[C@H:73]([O:119][C@@H:78]5[C@@H:65]([OH:103])[C@H:62]([OH:100])[C@H:56]([OH:94])[C@@H:42]([CH3:4])[O:108]5)[C@@H:72]([O:118][C@@H:74]5[C@H:53]([N:81]=[C:43]([CH3:5])[OH:89])[C@@H:60]([OH:98])[C@@H:57]([OH:95])[C@@H:47]([CH2:35][OH:84])[O:109]5)[C@@H:59]([OH:97])[C@@H:49]([CH2:37][OH:86])[O:111]4)[C@H:69]([O:115][C@@H:77]4[C@@H:64]([OH:102])[C@H:61]([OH:99])[C@H:55]([OH:93])[C@@H:41]([CH3:3])[O:107]4)[C@@H:51]([CH2:39][OH:88])[O:112]3)[C@@H:58]([OH:96])[C@@H:48]([CH2:36][OH:85])[O:110]2)[C@@H:50]([CH2:38][OH:87])[O:113]1)[N:83]=[C:52]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:92])[OH:91] |
|