| Properties | Image |
|---|
| MNX_ID | MNXM23287 |
 |
| reference | lipidmapsM:LMSP0505CY07 |
| formula | C86H154N2O36 |
| global charge | 0 |
| mol weight | 1792.156 |
| InChIKey | KMFXVFFEKXZQLV-PEKWGDTQSA-N |
| InChI | InChI=1S/C86H154N2O36/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-58(96)88-51(52(95)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)47-111-81-72(109)68(105)74(56(45-92)118-81)119-85-73(110)77(63(100)54(43-90)115-85)122-80-59(87-50(5)94)76(121-82-69(106)65(102)60(97)48(3)112-82)75(57(46-93)117-80)120-86-79(124-83-70(107)66(103)61(98)49(4)113-83)78(64(101)55(44-91)116-86)123-84-71(108)67(104)62(99)53(42-89)114-84/h20-21,38,40,48-49,51-57,59-86,89-93,95,97-110H,6-19,22-37,39,41-47H2,1-5H3,(H,87,94)(H,88,96)/b21-20-,40-38+/t48-,49-,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-,82-,83-,84-,85+,86+/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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@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](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)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C86H154N2O36/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-58(96)88-51(52(95)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)47-111-81-72(109)68(105)74(56(45-92)118-81)119-85-73(110)77(63(100)54(43-90)115-85)122-80-59(87-50(5)94)76(121-82-69(106)65(102)60(97)48(3)112-82)75(57(46-93)117-80)120-86-79(124-83-70(107)66(103)61(98)49(4)113-83)78(64(101)55(44-91)116-86)123-84-71(108)67(104)62(99)53(42-89)114-84/h20-21,38,40,48-49,51-57,59-86,89-93,95,97-110H,6-19,22-37,39,41-47H2,1-5H3,(H,87,94)(H,88,96)/b21-20-,40-38+/t48-,49-,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-,82-,83-,84-,85+,86+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:58](=[N:88][C@@H:51]([CH2:47][O:111][C@H:81]1[C@H:72]([OH:109])[C@@H:68]([OH:105])[C@H:74]([O:119][C@H:85]2[C@H:73]([OH:110])[C@@H:77]([O:122][C@H:80]3[C@H:59]([N:87]=[C:50]([CH3:5])[OH:94])[C@@H:76]([O:121][C@@H:82]4[C@@H:69]([OH:106])[C@H:65]([OH:102])[C@H:60]([OH:97])[C@@H:48]([CH3:3])[O:112]4)[C@H:75]([O:120][C@H:86]4[C@H:79]([O:124][C@@H:83]5[C@@H:70]([OH:107])[C@H:66]([OH:103])[C@H:61]([OH:98])[C@@H:49]([CH3:4])[O:113]5)[C@@H:78]([O:123][C@@H:84]5[C@H:71]([OH:108])[C@@H:67]([OH:104])[C@@H:62]([OH:99])[C@@H:53]([CH2:42][OH:89])[O:114]5)[C@@H:64]([OH:101])[C@@H:55]([CH2:44][OH:91])[O:116]4)[C@@H:57]([CH2:46][OH:93])[O:117]3)[C@@H:63]([OH:100])[C@@H:54]([CH2:43][OH:90])[O:115]2)[C@@H:56]([CH2:45][OH:92])[O:118]1)[C@@H:52](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:95])[OH:96] |
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