| Properties | Image |
|---|
| MNX_ID | MNXM22704 |
 |
| reference | lipidmapsM:LMSP0504AZ05 |
| formula | C108H192N4O51 |
| global charge | 0 |
| mol weight | 2362.701 |
| InChIKey | DJFWHCCJWVFTQQ-VDMOYXFRSA-N |
| InChI | InChI=1S/C108H192N4O51/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(124)112-58(59(123)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)51-144-102-88(141)85(138)91(66(50-119)154-102)156-105-89(142)95(79(132)65(49-118)151-105)160-100-70(110-56(6)121)93(77(130)63(47-116)149-100)157-106-90(143)96(161-101-71(111-57(7)122)94(78(131)64(48-117)150-101)159-108-98(84(137)75(128)61(45-114)153-108)163-104-87(140)82(135)73(126)54(4)147-104)80(133)67(155-106)52-145-99-69(109-55(5)120)92(76(129)62(46-115)148-99)158-107-97(83(136)74(127)60(44-113)152-107)162-103-86(139)81(134)72(125)53(3)146-103/h40,42,53-54,58-67,69-108,113-119,123,125-143H,8-39,41,43-52H2,1-7H3,(H,109,120)(H,110,121)(H,111,122)(H,112,124)/b42-40+/t53-,54-,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75+,76-,77-,78-,79+,80+,81-,82-,83+,84+,85-,86+,87+,88-,89-,90-,91-,92-,93-,94-,95+,96+,97-,98-,99-,100+,101+,102-,103-,104-,105+,106+,107+,108+/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](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[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]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C108H192N4O51/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(124)112-58(59(123)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)51-144-102-88(141)85(138)91(66(50-119)154-102)156-105-89(142)95(79(132)65(49-118)151-105)160-100-70(110-56(6)121)93(77(130)63(47-116)149-100)157-106-90(143)96(161-101-71(111-57(7)122)94(78(131)64(48-117)150-101)159-108-98(84(137)75(128)61(45-114)153-108)163-104-87(140)82(135)73(126)54(4)147-104)80(133)67(155-106)52-145-99-69(109-55(5)120)92(76(129)62(46-115)148-99)158-107-97(83(136)74(127)60(44-113)152-107)162-103-86(139)81(134)72(125)53(3)146-103/h40,42,53-54,58-67,69-108,113-119,123,125-143H,8-39,41,43-52H2,1-7H3,(H,109,120)(H,110,121)(H,111,122)(H,112,124)/b42-40+/t53-,54-,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74+,75+,76-,77-,78-,79+,80+,81-,82-,83+,84+,85-,86+,87+,88-,89-,90-,91-,92-,93-,94-,95+,96+,97-,98-,99-,100+,101+,102-,103-,104-,105+,106+,107+,108+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:68](=[N:112][C@@H:58]([CH2:51][O:144][C@H:102]1[C@H:88]([OH:141])[C@@H:85]([OH:138])[C@H:91]([O:156][C@H:105]2[C@H:89]([OH:142])[C@@H:95]([O:160][C@H:100]3[C@H:70]([N:110]=[C:56]([CH3:6])[OH:121])[C@@H:93]([O:157][C@H:106]4[C@H:90]([OH:143])[C@@H:96]([O:161][C@H:101]5[C@H:71]([N:111]=[C:57]([CH3:7])[OH:122])[C@@H:94]([O:159][C@H:108]6[C@H:98]([O:163][C@@H:104]7[C@@H:87]([OH:140])[C@H:82]([OH:135])[C@H:73]([OH:126])[C@@H:54]([CH3:4])[O:147]7)[C@@H:84]([OH:137])[C@@H:75]([OH:128])[C@@H:61]([CH2:45][OH:114])[O:153]6)[C@H:78]([OH:131])[C@@H:64]([CH2:48][OH:117])[O:150]5)[C@@H:80]([OH:133])[C@@H:67]([CH2:52][O:145][C@H:99]5[C@H:69]([N:109]=[C:55]([CH3:5])[OH:120])[C@@H:92]([O:158][C@H:107]6[C@H:97]([O:162][C@@H:103]7[C@@H:86]([OH:139])[C@H:81]([OH:134])[C@H:72]([OH:125])[C@@H:53]([CH3:3])[O:146]7)[C@@H:83]([OH:136])[C@@H:74]([OH:127])[C@@H:60]([CH2:44][OH:113])[O:152]6)[C@H:76]([OH:129])[C@@H:62]([CH2:46][OH:115])[O:148]5)[O:155]4)[C@H:77]([OH:130])[C@@H:63]([CH2:47][OH:116])[O:149]3)[C@@H:79]([OH:132])[C@@H:65]([CH2:49][OH:118])[O:151]2)[C@@H:66]([CH2:50][OH:119])[O:154]1)[C@@H:59](/[CH:42]=[CH:40]/[CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:123])[OH:124] |
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