| Properties | Image |
|---|
| MNX_ID | MNXM28621 |
 |
| reference | lipidmapsM:LMSP0505EB02 |
| formula | C108H190N4O56 |
| global charge | 0 |
| mol weight | 2440.68 |
| InChIKey | QYGRFPOQOBSKSZ-RIILMPIJSA-N |
| InChI | InChI=1S/C108H190N4O56/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-64(125)112-53(54(124)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)46-147-101-86(144)82(140)92(62(45-120)158-101)161-105-87(145)93(72(130)57(40-115)152-105)164-99-66(110-51(6)122)76(134)89(60(43-118)156-99)160-106-88(146)94(74(132)63(159-106)47-148-98-65(109-50(5)121)75(133)90(59(42-117)155-98)162-107-96(81(139)71(129)56(39-114)153-107)167-102-83(141)78(136)68(126)48(3)149-102)165-100-67(111-52(7)123)77(135)91(61(44-119)157-100)163-108-97(168-103-84(142)79(137)69(127)49(4)150-103)95(73(131)58(41-116)154-108)166-104-85(143)80(138)70(128)55(38-113)151-104/h34,36,48-49,53-63,65-108,113-120,124,126-146H,8-33,35,37-47H2,1-7H3,(H,109,121)(H,110,122)(H,111,123)(H,112,125)/b36-34+/t48-,49-,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,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]4O[C@H](CO[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]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C108H190N4O56/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-64(125)112-53(54(124)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)46-147-101-86(144)82(140)92(62(45-120)158-101)161-105-87(145)93(72(130)57(40-115)152-105)164-99-66(110-51(6)122)76(134)89(60(43-118)156-99)160-106-88(146)94(74(132)63(159-106)47-148-98-65(109-50(5)121)75(133)90(59(42-117)155-98)162-107-96(81(139)71(129)56(39-114)153-107)167-102-83(141)78(136)68(126)48(3)149-102)165-100-67(111-52(7)123)77(135)91(61(44-119)157-100)163-108-97(168-103-84(142)79(137)69(127)49(4)150-103)95(73(131)58(41-116)154-108)166-104-85(143)80(138)70(128)55(38-113)151-104/h34,36,48-49,53-63,65-108,113-120,124,126-146H,8-33,35,37-47H2,1-7H3,(H,109,121)(H,110,122)(H,111,123)(H,112,125)/b36-34+/t48-,49-,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,65-,66-,67-,68-,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][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:64](=[N:112][C@@H:53]([CH2:46][O:147][C@H:101]1[C@H:86]([OH:144])[C@@H:82]([OH:140])[C@H:92]([O:161][C@H:105]2[C@H:87]([OH:145])[C@@H:93]([O:164][C@H:99]3[C@H:66]([N:110]=[C:51]([CH3:6])[OH:122])[C@@H:76]([OH:134])[C@H:89]([O:160][C@H:106]4[C@H:88]([OH:146])[C@@H:94]([O:165][C@H:100]5[C@H:67]([N:111]=[C:52]([CH3:7])[OH:123])[C@@H:77]([OH:135])[C@H:91]([O:163][C@H:108]6[C@H:97]([O:168][C@@H:103]7[C@@H:84]([OH:142])[C@H:79]([OH:137])[C@H:69]([OH:127])[C@@H:49]([CH3:4])[O:150]7)[C@@H:95]([O:166][C@@H:104]7[C@H:85]([OH:143])[C@@H:80]([OH:138])[C@@H:70]([OH:128])[C@@H:55]([CH2:38][OH:113])[O:151]7)[C@@H:73]([OH:131])[C@@H:58]([CH2:41][OH:116])[O:154]6)[C@@H:61]([CH2:44][OH:119])[O:157]5)[C@@H:74]([OH:132])[C@@H:63]([CH2:47][O:148][C@H:98]5[C@H:65]([N:109]=[C:50]([CH3:5])[OH:121])[C@@H:75]([OH:133])[C@H:90]([O:162][C@H:107]6[C@H:96]([O:167][C@@H:102]7[C@@H:83]([OH:141])[C@H:78]([OH:136])[C@H:68]([OH:126])[C@@H:48]([CH3:3])[O:149]7)[C@@H:81]([OH:139])[C@@H:71]([OH:129])[C@@H:56]([CH2:39][OH:114])[O:153]6)[C@@H:59]([CH2:42][OH:117])[O:155]5)[O:159]4)[C@@H:60]([CH2:43][OH:118])[O:156]3)[C@@H:72]([OH:130])[C@@H:57]([CH2:40][OH:115])[O:152]2)[C@@H:62]([CH2:45][OH:120])[O:158]1)[C@@H:54](/[CH:36]=[CH:34]/[CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:124])[OH:125] |
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