| Properties | Image |
|---|
| MNX_ID | MNXM29932 |
 |
| reference | lipidmapsM:LMSP0505EA02 |
| formula | C108H190N4O57 |
| global charge | 0 |
| mol weight | 2456.679 |
| InChIKey | YFRYXPOCKYWYIT-OQWATFGNSA-N |
| InChI | InChI=1S/C108H190N4O57/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(126)112-52(53(125)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)46-148-101-85(144)81(140)92(62(45-121)159-101)163-106-86(145)93(71(130)56(39-115)154-106)165-99-66(110-50(5)123)76(135)90(60(43-119)157-99)162-107-88(147)95(74(133)63(160-107)47-149-98-65(109-49(4)122)75(134)89(59(42-118)156-98)161-105-87(146)94(72(131)57(40-116)153-105)167-103-83(142)79(138)69(128)54(37-113)151-103)166-100-67(111-51(6)124)77(136)91(61(44-120)158-100)164-108-97(169-102-82(141)78(137)68(127)48(3)150-102)96(73(132)58(41-117)155-108)168-104-84(143)80(139)70(129)55(38-114)152-104/h33,35,48,52-63,65-108,113-121,125,127-147H,7-32,34,36-47H2,1-6H3,(H,109,122)(H,110,123)(H,111,124)(H,112,126)/b35-33+/t48-,52+,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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[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/C108H190N4O57/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(126)112-52(53(125)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)46-148-101-85(144)81(140)92(62(45-121)159-101)163-106-86(145)93(71(130)56(39-115)154-106)165-99-66(110-50(5)123)76(135)90(60(43-119)157-99)162-107-88(147)95(74(133)63(160-107)47-149-98-65(109-49(4)122)75(134)89(59(42-118)156-98)161-105-87(146)94(72(131)57(40-116)153-105)167-103-83(142)79(138)69(128)54(37-113)151-103)166-100-67(111-51(6)124)77(136)91(61(44-120)158-100)164-108-97(169-102-82(141)78(137)68(127)48(3)150-102)96(73(132)58(41-117)155-108)168-104-84(143)80(139)70(129)55(38-114)152-104/h33,35,48,52-63,65-108,113-121,125,127-147H,7-32,34,36-47H2,1-6H3,(H,109,122)(H,110,123)(H,111,124)(H,112,126)/b35-33+/t48-,52+,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][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:64](=[N:112][C@@H:52]([CH2:46][O:148][C@H:101]1[C@H:85]([OH:144])[C@@H:81]([OH:140])[C@H:92]([O:163][C@H:106]2[C@H:86]([OH:145])[C@@H:93]([O:165][C@H:99]3[C@H:66]([N:110]=[C:50]([CH3:5])[OH:123])[C@@H:76]([OH:135])[C@H:90]([O:162][C@H:107]4[C@H:88]([OH:147])[C@@H:95]([O:166][C@H:100]5[C@H:67]([N:111]=[C:51]([CH3:6])[OH:124])[C@@H:77]([OH:136])[C@H:91]([O:164][C@H:108]6[C@H:97]([O:169][C@@H:102]7[C@@H:82]([OH:141])[C@H:78]([OH:137])[C@H:68]([OH:127])[C@@H:48]([CH3:3])[O:150]7)[C@@H:96]([O:168][C@@H:104]7[C@H:84]([OH:143])[C@@H:80]([OH:139])[C@@H:70]([OH:129])[C@@H:55]([CH2:38][OH:114])[O:152]7)[C@@H:73]([OH:132])[C@@H:58]([CH2:41][OH:117])[O:155]6)[C@@H:61]([CH2:44][OH:120])[O:158]5)[C@@H:74]([OH:133])[C@@H:63]([CH2:47][O:149][C@H:98]5[C@H:65]([N:109]=[C:49]([CH3:4])[OH:122])[C@@H:75]([OH:134])[C@H:89]([O:161][C@H:105]6[C@H:87]([OH:146])[C@@H:94]([O:167][C@@H:103]7[C@H:83]([OH:142])[C@@H:79]([OH:138])[C@@H:69]([OH:128])[C@@H:54]([CH2:37][OH:113])[O:151]7)[C@@H:72]([OH:131])[C@@H:57]([CH2:40][OH:116])[O:153]6)[C@@H:59]([CH2:42][OH:118])[O:156]5)[O:160]4)[C@@H:60]([CH2:43][OH:119])[O:157]3)[C@@H:71]([OH:130])[C@@H:56]([CH2:39][OH:115])[O:154]2)[C@@H:62]([CH2:45][OH:121])[O:159]1)[C@@H:53](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:125])[OH:126] |
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