| Properties | Image |
|---|
| MNX_ID | MNXM24551 |
 |
| reference | lipidmapsM:LMSP0505AU01 |
| formula | C86H153N3O41 |
| global charge | 0 |
| mol weight | 1885.15 |
| InChIKey | FHPDCICXLHODKQ-FNSQKLEASA-N |
| InChI | InChI=1S/C86H153N3O41/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-47(98)46(89-54(99)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)41-115-81-69(112)65(108)72(51(38-93)123-81)124-85-70(113)77(60(103)49(36-91)119-85)129-80-56(88-45(6)97)76(128-83-67(110)63(106)58(101)43(4)117-83)74(53(40-95)122-80)126-86-71(114)78(61(104)50(37-92)120-86)130-79-55(87-44(5)96)75(127-82-66(109)62(105)57(100)42(3)116-82)73(52(39-94)121-79)125-84-68(111)64(107)59(102)48(35-90)118-84/h31,33,42-43,46-53,55-86,90-95,98,100-114H,7-30,32,34-41H2,1-6H3,(H,87,96)(H,88,97)(H,89,99)/b33-31+/t42-,43-,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-,83-,84+,85+,86+/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@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=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)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C86H153N3O41/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-47(98)46(89-54(99)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)41-115-81-69(112)65(108)72(51(38-93)123-81)124-85-70(113)77(60(103)49(36-91)119-85)129-80-56(88-45(6)97)76(128-83-67(110)63(106)58(101)43(4)117-83)74(53(40-95)122-80)126-86-71(114)78(61(104)50(37-92)120-86)130-79-55(87-44(5)96)75(127-82-66(109)62(105)57(100)42(3)116-82)73(52(39-94)121-79)125-84-68(111)64(107)59(102)48(35-90)118-84/h31,33,42-43,46-53,55-86,90-95,98,100-114H,7-30,32,34-41H2,1-6H3,(H,87,96)(H,88,97)(H,89,99)/b33-31+/t42-,43-,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-,83-,84+,85+,86+/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:47]([C@H:46]([CH2:41][O:115][C@H:81]1[C@H:69]([OH:112])[C@@H:65]([OH:108])[C@H:72]([O:124][C@H:85]2[C@H:70]([OH:113])[C@@H:77]([O:129][C@H:80]3[C@H:56]([N:88]=[C:45]([CH3:6])[OH:97])[C@@H:76]([O:128][C@@H:83]4[C@@H:67]([OH:110])[C@H:63]([OH:106])[C@H:58]([OH:101])[C@@H:43]([CH3:4])[O:117]4)[C@H:74]([O:126][C@H:86]4[C@H:71]([OH:114])[C@@H:78]([O:130][C@H:79]5[C@H:55]([N:87]=[C:44]([CH3:5])[OH:96])[C@@H:75]([O:127][C@@H:82]6[C@@H:66]([OH:109])[C@H:62]([OH:105])[C@H:57]([OH:100])[C@@H:42]([CH3:3])[O:116]6)[C@H:73]([O:125][C@H:84]6[C@H:68]([OH:111])[C@@H:64]([OH:107])[C@@H:59]([OH:102])[C@@H:48]([CH2:35][OH:90])[O:118]6)[C@@H:52]([CH2:39][OH:94])[O:121]5)[C@@H:61]([OH:104])[C@@H:50]([CH2:37][OH:92])[O:120]4)[C@@H:53]([CH2:40][OH:95])[O:122]3)[C@@H:60]([OH:103])[C@@H:49]([CH2:36][OH:91])[O:119]2)[C@@H:51]([CH2:38][OH:93])[O:123]1)[N:89]=[C:54]([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:99])[OH:98] |
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