| Properties | Image |
|---|
| MNX_ID | MNXM29387 |
 |
| reference | lipidmapsM:LMSP0505CT02 |
| formula | C104H183N5O52 |
| global charge | 0 |
| mol weight | 2335.591 |
| InChIKey | JWFVFGODMHZYCC-SIZMZHMKSA-N |
| InChI | InChI=1S/C104H183N5O52/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-64(124)109-53(54(123)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)47-142-99-82(138)80(136)89(63(46-118)152-99)155-103-85(141)92(73(129)58(41-113)147-103)159-97-67(107-51(6)121)77(133)87(61(44-116)150-97)153-101-83(139)90(71(127)56(39-111)145-101)157-96-66(106-50(5)120)76(132)86(60(43-115)149-96)154-102-84(140)91(72(128)57(40-112)146-102)158-98-68(108-52(7)122)78(134)88(62(45-117)151-98)156-104-94(161-100-81(137)79(135)69(125)48(3)143-100)93(74(130)59(42-114)148-104)160-95-65(105-49(4)119)75(131)70(126)55(38-110)144-95/h34,36,48,53-63,65-104,110-118,123,125-141H,8-33,35,37-47H2,1-7H3,(H,105,119)(H,106,120)(H,107,121)(H,108,122)(H,109,124)/b36-34+/t48-,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+/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](O)[C@H]9NC(C)=O)[C@H]8O[C@H]8O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)[C@H](O)[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/C104H183N5O52/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-64(124)109-53(54(123)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)47-142-99-82(138)80(136)89(63(46-118)152-99)155-103-85(141)92(73(129)58(41-113)147-103)159-97-67(107-51(6)121)77(133)87(61(44-116)150-97)153-101-83(139)90(71(127)56(39-111)145-101)157-96-66(106-50(5)120)76(132)86(60(43-115)149-96)154-102-84(140)91(72(128)57(40-112)146-102)158-98-68(108-52(7)122)78(134)88(62(45-117)151-98)156-104-94(161-100-81(137)79(135)69(125)48(3)143-100)93(74(130)59(42-114)148-104)160-95-65(105-49(4)119)75(131)70(126)55(38-110)144-95/h34,36,48,53-63,65-104,110-118,123,125-141H,8-33,35,37-47H2,1-7H3,(H,105,119)(H,106,120)(H,107,121)(H,108,122)(H,109,124)/b36-34+/t48-,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+/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:109][C@@H:53]([CH2:47][O:142][C@H:99]1[C@H:82]([OH:138])[C@@H:80]([OH:136])[C@H:89]([O:155][C@H:103]2[C@H:85]([OH:141])[C@@H:92]([O:159][C@H:97]3[C@H:67]([N:107]=[C:51]([CH3:6])[OH:121])[C@@H:77]([OH:133])[C@H:87]([O:153][C@H:101]4[C@H:83]([OH:139])[C@@H:90]([O:157][C@H:96]5[C@H:66]([N:106]=[C:50]([CH3:5])[OH:120])[C@@H:76]([OH:132])[C@H:86]([O:154][C@H:102]6[C@H:84]([OH:140])[C@@H:91]([O:158][C@H:98]7[C@H:68]([N:108]=[C:52]([CH3:7])[OH:122])[C@@H:78]([OH:134])[C@H:88]([O:156][C@H:104]8[C@H:94]([O:161][C@@H:100]9[C@@H:81]([OH:137])[C@H:79]([OH:135])[C@H:69]([OH:125])[C@@H:48]([CH3:3])[O:143]9)[C@@H:93]([O:160][C@@H:95]9[C@H:65]([N:105]=[C:49]([CH3:4])[OH:119])[C@@H:75]([OH:131])[C@@H:70]([OH:126])[C@@H:55]([CH2:38][OH:110])[O:144]9)[C@@H:74]([OH:130])[C@@H:59]([CH2:42][OH:114])[O:148]8)[C@@H:62]([CH2:45][OH:117])[O:151]7)[C@@H:72]([OH:128])[C@@H:57]([CH2:40][OH:112])[O:146]6)[C@@H:60]([CH2:43][OH:115])[O:149]5)[C@@H:71]([OH:127])[C@@H:56]([CH2:39][OH:111])[O:145]4)[C@@H:61]([CH2:44][OH:116])[O:150]3)[C@@H:73]([OH:129])[C@@H:58]([CH2:41][OH:113])[O:147]2)[C@@H:63]([CH2:46][OH:118])[O:152]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:123])[OH:124] |
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