| Properties | Image |
|---|
| MNX_ID | MNXM23503 |
 |
| reference | lipidmapsM:LMSP0505CD02 |
| formula | C110H193N5O57 |
| global charge | 0 |
| mol weight | 2497.732 |
| InChIKey | ZPYHDJCPDARQBT-QVSBBHIESA-N |
| InChI | InChI=1S/C110H193N5O57/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-66(131)115-54(55(130)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)48-151-104-85(146)82(143)93(64(46-124)162-104)166-109-87(148)97(74(135)58(40-118)156-109)170-102-69(113-52(6)128)78(139)91(62(44-122)160-102)164-107-86(147)96(73(134)57(39-117)154-107)169-101-68(112-51(5)127)79(140)92(63(45-123)159-101)165-108-88(149)99(76(137)59(41-119)155-108)172-103-70(114-53(7)129)95(168-105-83(144)80(141)71(132)49(3)152-105)94(65(47-125)161-103)167-110-89(150)98(75(136)60(42-120)157-110)171-100-67(111-50(4)126)77(138)90(61(43-121)158-100)163-106-84(145)81(142)72(133)56(38-116)153-106/h34,36,49,54-65,67-110,116-125,130,132-150H,8-33,35,37-48H2,1-7H3,(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,131)/b36-34+/t49-,54+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,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+,109+,110+/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]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9NC(C)=O)[C@H]8O)[C@H](O[C@H]8O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)[C@H]7NC(C)=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/C110H193N5O57/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-66(131)115-54(55(130)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)48-151-104-85(146)82(143)93(64(46-124)162-104)166-109-87(148)97(74(135)58(40-118)156-109)170-102-69(113-52(6)128)78(139)91(62(44-122)160-102)164-107-86(147)96(73(134)57(39-117)154-107)169-101-68(112-51(5)127)79(140)92(63(45-123)159-101)165-108-88(149)99(76(137)59(41-119)155-108)172-103-70(114-53(7)129)95(168-105-83(144)80(141)71(132)49(3)152-105)94(65(47-125)161-103)167-110-89(150)98(75(136)60(42-120)157-110)171-100-67(111-50(4)126)77(138)90(61(43-121)158-100)163-106-84(145)81(142)72(133)56(38-116)153-106/h34,36,49,54-65,67-110,116-125,130,132-150H,8-33,35,37-48H2,1-7H3,(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,131)/b36-34+/t49-,54+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,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+,109+,110+/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:66](=[N:115][C@@H:54]([CH2:48][O:151][C@H:104]1[C@H:85]([OH:146])[C@@H:82]([OH:143])[C@H:93]([O:166][C@H:109]2[C@H:87]([OH:148])[C@@H:97]([O:170][C@H:102]3[C@H:69]([N:113]=[C:52]([CH3:6])[OH:128])[C@@H:78]([OH:139])[C@H:91]([O:164][C@H:107]4[C@H:86]([OH:147])[C@@H:96]([O:169][C@H:101]5[C@H:68]([N:112]=[C:51]([CH3:5])[OH:127])[C@@H:79]([OH:140])[C@H:92]([O:165][C@H:108]6[C@H:88]([OH:149])[C@@H:99]([O:172][C@H:103]7[C@H:70]([N:114]=[C:53]([CH3:7])[OH:129])[C@@H:95]([O:168][C@@H:105]8[C@@H:83]([OH:144])[C@H:80]([OH:141])[C@H:71]([OH:132])[C@@H:49]([CH3:3])[O:152]8)[C@H:94]([O:167][C@H:110]8[C@H:89]([OH:150])[C@@H:98]([O:171][C@H:100]9[C@H:67]([N:111]=[C:50]([CH3:4])[OH:126])[C@@H:77]([OH:138])[C@H:90]([O:163][C@H:106]%10[C@H:84]([OH:145])[C@@H:81]([OH:142])[C@@H:72]([OH:133])[C@@H:56]([CH2:38][OH:116])[O:153]%10)[C@@H:61]([CH2:43][OH:121])[O:158]9)[C@@H:75]([OH:136])[C@@H:60]([CH2:42][OH:120])[O:157]8)[C@@H:65]([CH2:47][OH:125])[O:161]7)[C@@H:76]([OH:137])[C@@H:59]([CH2:41][OH:119])[O:155]6)[C@@H:63]([CH2:45][OH:123])[O:159]5)[C@@H:73]([OH:134])[C@@H:57]([CH2:39][OH:117])[O:154]4)[C@@H:62]([CH2:44][OH:122])[O:160]3)[C@@H:74]([OH:135])[C@@H:58]([CH2:40][OH:118])[O:156]2)[C@@H:64]([CH2:46][OH:124])[O:162]1)[C@@H:55](/[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:130])[OH:131] |
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