| Properties | Image |
|---|
| MNX_ID | MNXM24323 |
 |
| reference | lipidmapsM:LMSP0505AY07 |
| formula | C116H203N5O56 |
| global charge | 0 |
| mol weight | 2563.879 |
| InChIKey | NOYXISWYMZELSO-HPJURLBESA-N |
| InChI | InChI=1S/C116H203N5O56/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(136)121-61(62(135)43-41-39-37-35-33-31-22-20-18-16-14-12-10-2)54-156-110-93(153)90(150)98(71(53-130)167-110)169-114-95(155)101(82(142)66(48-125)162-114)173-107-74(118-58(6)132)86(146)96(69(51-128)165-107)168-113-94(154)100(81(141)65(47-124)161-113)172-108-75(119-59(7)133)87(147)97(70(52-129)166-108)170-115-104(176-111-91(151)88(148)77(137)55(3)157-111)103(84(144)67(49-126)163-115)175-109-76(120-60(8)134)99(80(140)64(46-123)160-109)171-116-105(177-112-92(152)89(149)78(138)56(4)158-112)102(83(143)68(50-127)164-116)174-106-73(117-57(5)131)85(145)79(139)63(45-122)159-106/h23-24,41,43,55-56,61-71,73-116,122-130,135,137-155H,9-22,25-40,42,44-54H2,1-8H3,(H,117,131)(H,118,132)(H,119,133)(H,120,134)(H,121,136)/b24-23-,43-41+/t55-,56-,61+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,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-,111-,112-,113+,114+,115+,116+/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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](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]7NC(C)=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]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C116H203N5O56/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(136)121-61(62(135)43-41-39-37-35-33-31-22-20-18-16-14-12-10-2)54-156-110-93(153)90(150)98(71(53-130)167-110)169-114-95(155)101(82(142)66(48-125)162-114)173-107-74(118-58(6)132)86(146)96(69(51-128)165-107)168-113-94(154)100(81(141)65(47-124)161-113)172-108-75(119-59(7)133)87(147)97(70(52-129)166-108)170-115-104(176-111-91(151)88(148)77(137)55(3)157-111)103(84(144)67(49-126)163-115)175-109-76(120-60(8)134)99(80(140)64(46-123)160-109)171-116-105(177-112-92(152)89(149)78(138)56(4)158-112)102(83(143)68(50-127)164-116)174-106-73(117-57(5)131)85(145)79(139)63(45-122)159-106/h23-24,41,43,55-56,61-71,73-116,122-130,135,137-155H,9-22,25-40,42,44-54H2,1-8H3,(H,117,131)(H,118,132)(H,119,133)(H,120,134)(H,121,136)/b24-23-,43-41+/t55-,56-,61+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,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-,111-,112-,113+,114+,115+,116+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:72](=[N:121][C@@H:61]([CH2:54][O:156][C@H:110]1[C@H:93]([OH:153])[C@@H:90]([OH:150])[C@H:98]([O:169][C@H:114]2[C@H:95]([OH:155])[C@@H:101]([O:173][C@H:107]3[C@H:74]([N:118]=[C:58]([CH3:6])[OH:132])[C@@H:86]([OH:146])[C@H:96]([O:168][C@H:113]4[C@H:94]([OH:154])[C@@H:100]([O:172][C@H:108]5[C@H:75]([N:119]=[C:59]([CH3:7])[OH:133])[C@@H:87]([OH:147])[C@H:97]([O:170][C@H:115]6[C@H:104]([O:176][C@@H:111]7[C@@H:91]([OH:151])[C@H:88]([OH:148])[C@H:77]([OH:137])[C@@H:55]([CH3:3])[O:157]7)[C@@H:103]([O:175][C@@H:109]7[C@H:76]([N:120]=[C:60]([CH3:8])[OH:134])[C@@H:99]([O:171][C@H:116]8[C@H:105]([O:177][C@@H:112]9[C@@H:92]([OH:152])[C@H:89]([OH:149])[C@H:78]([OH:138])[C@@H:56]([CH3:4])[O:158]9)[C@@H:102]([O:174][C@@H:106]9[C@H:73]([N:117]=[C:57]([CH3:5])[OH:131])[C@@H:85]([OH:145])[C@@H:79]([OH:139])[C@@H:63]([CH2:45][OH:122])[O:159]9)[C@@H:83]([OH:143])[C@@H:68]([CH2:50][OH:127])[O:164]8)[C@@H:80]([OH:140])[C@@H:64]([CH2:46][OH:123])[O:160]7)[C@@H:84]([OH:144])[C@@H:67]([CH2:49][OH:126])[O:163]6)[C@@H:70]([CH2:52][OH:129])[O:166]5)[C@@H:81]([OH:141])[C@@H:65]([CH2:47][OH:124])[O:161]4)[C@@H:69]([CH2:51][OH:128])[O:165]3)[C@@H:82]([OH:142])[C@@H:66]([CH2:48][OH:125])[O:162]2)[C@@H:71]([CH2:53][OH:130])[O:167]1)[C@@H:62](/[CH:43]=[CH:41]/[CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:135])[OH:136] |
|