| Properties | Image |
|---|
| MNX_ID | MNXM26170 |
 |
| reference | lipidmapsM:LMSP0505DZ01 |
| formula | C110H192N6O57 |
| global charge | 0 |
| mol weight | 2510.731 |
| InChIKey | SJYUONSASNPDHP-CGQPWOIOSA-N |
| InChI | InChI=1S/C110H192N6O57/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-55(131)54(116-66(132)36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)46-152-105-87(148)85(146)94(64(45-125)163-105)167-108-89(150)96(76(137)59(40-120)158-108)170-103-70(114-52(7)129)83(144)92(63(44-124)161-103)166-109-90(151)97(171-104-71(115-53(8)130)82(143)91(62(43-123)162-104)165-107-88(149)95(75(136)58(39-119)157-107)169-101-67(111-49(4)126)79(140)73(134)56(37-117)155-101)78(139)65(164-109)47-153-100-69(113-51(6)128)81(142)93(61(42-122)160-100)168-110-99(173-106-86(147)84(145)72(133)48(3)154-106)98(77(138)60(41-121)159-110)172-102-68(112-50(5)127)80(141)74(135)57(38-118)156-102/h33,35,48,54-65,67-110,117-125,131,133-151H,9-32,34,36-47H2,1-8H3,(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,130)(H,116,132)/b35-33+/t48-,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]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]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](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]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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C110H192N6O57/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-55(131)54(116-66(132)36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)46-152-105-87(148)85(146)94(64(45-125)163-105)167-108-89(150)96(76(137)59(40-120)158-108)170-103-70(114-52(7)129)83(144)92(63(44-124)161-103)166-109-90(151)97(171-104-71(115-53(8)130)82(143)91(62(43-123)162-104)165-107-88(149)95(75(136)58(39-119)157-107)169-101-67(111-49(4)126)79(140)73(134)56(37-117)155-101)78(139)65(164-109)47-153-100-69(113-51(6)128)81(142)93(61(42-122)160-100)168-110-99(173-106-86(147)84(145)72(133)48(3)154-106)98(77(138)60(41-121)159-110)172-102-68(112-50(5)127)80(141)74(135)57(38-118)156-102/h33,35,48,54-65,67-110,117-125,131,133-151H,9-32,34,36-47H2,1-8H3,(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,130)(H,116,132)/b35-33+/t48-,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 |
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| SMILES (mnx) | [CH3:1][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31]/[CH:33]=[CH:35]/[C@H:55]([C@H:54]([CH2:46][O:152][C@H:105]1[C@H:87]([OH:148])[C@@H:85]([OH:146])[C@H:94]([O:167][C@H:108]2[C@H:89]([OH:150])[C@@H:96]([O:170][C@H:103]3[C@H:70]([N:114]=[C:52]([CH3:7])[OH:129])[C@@H:83]([OH:144])[C@H:92]([O:166][C@H:109]4[C@H:90]([OH:151])[C@@H:97]([O:171][C@H:104]5[C@H:71]([N:115]=[C:53]([CH3:8])[OH:130])[C@@H:82]([OH:143])[C@H:91]([O:165][C@H:107]6[C@H:88]([OH:149])[C@@H:95]([O:169][C@@H:101]7[C@H:67]([N:111]=[C:49]([CH3:4])[OH:126])[C@@H:79]([OH:140])[C@@H:73]([OH:134])[C@@H:56]([CH2:37][OH:117])[O:155]7)[C@@H:75]([OH:136])[C@@H:58]([CH2:39][OH:119])[O:157]6)[C@@H:62]([CH2:43][OH:123])[O:162]5)[C@@H:78]([OH:139])[C@@H:65]([CH2:47][O:153][C@H:100]5[C@H:69]([N:113]=[C:51]([CH3:6])[OH:128])[C@@H:81]([OH:142])[C@H:93]([O:168][C@H:110]6[C@H:99]([O:173][C@@H:106]7[C@@H:86]([OH:147])[C@H:84]([OH:145])[C@H:72]([OH:133])[C@@H:48]([CH3:3])[O:154]7)[C@@H:98]([O:172][C@@H:102]7[C@H:68]([N:112]=[C:50]([CH3:5])[OH:127])[C@@H:80]([OH:141])[C@@H:74]([OH:135])[C@@H:57]([CH2:38][OH:118])[O:156]7)[C@@H:77]([OH:138])[C@@H:60]([CH2:41][OH:121])[O:159]6)[C@@H:61]([CH2:42][OH:122])[O:160]5)[O:164]4)[C@@H:63]([CH2:44][OH:124])[O:161]3)[C@@H:76]([OH:137])[C@@H:59]([CH2:40][OH:120])[O:158]2)[C@@H:64]([CH2:45][OH:125])[O:163]1)[N:116]=[C:66]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:132])[OH:131] |
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