| Properties | Image |
|---|
| MNX_ID | MNXM24185 |
 |
| reference | lipidmapsM:LMSP0505EA03 |
| formula | C110H194N4O57 |
| global charge | 0 |
| mol weight | 2484.733 |
| InChIKey | GSGGSBVLHRCSRY-WZMFLUPZSA-N |
| InChI | InChI=1S/C110H194N4O57/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-66(128)114-54(55(127)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)48-150-103-87(146)83(142)94(64(47-123)161-103)165-108-88(147)95(73(132)58(41-117)156-108)167-101-68(112-52(5)125)78(137)92(62(45-121)159-101)164-109-90(149)97(76(135)65(162-109)49-151-100-67(111-51(4)124)77(136)91(61(44-120)158-100)163-107-89(148)96(74(133)59(42-118)155-107)169-105-85(144)81(140)71(130)56(39-115)153-105)168-102-69(113-53(6)126)79(138)93(63(46-122)160-102)166-110-99(171-104-84(143)80(139)70(129)50(3)152-104)98(75(134)60(43-119)157-110)170-106-86(145)82(141)72(131)57(40-116)154-106/h35,37,50,54-65,67-110,115-123,127,129-149H,7-34,36,38-49H2,1-6H3,(H,111,124)(H,112,125)(H,113,126)(H,114,128)/b37-35+/t50-,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]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)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C110H194N4O57/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-66(128)114-54(55(127)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)48-150-103-87(146)83(142)94(64(47-123)161-103)165-108-88(147)95(73(132)58(41-117)156-108)167-101-68(112-52(5)125)78(137)92(62(45-121)159-101)164-109-90(149)97(76(135)65(162-109)49-151-100-67(111-51(4)124)77(136)91(61(44-120)158-100)163-107-89(148)96(74(133)59(42-118)155-107)169-105-85(144)81(140)71(130)56(39-115)153-105)168-102-69(113-53(6)126)79(138)93(63(46-122)160-102)166-110-99(171-104-84(143)80(139)70(129)50(3)152-104)98(75(134)60(43-119)157-110)170-106-86(145)82(141)72(131)57(40-116)154-106/h35,37,50,54-65,67-110,115-123,127,129-149H,7-34,36,38-49H2,1-6H3,(H,111,124)(H,112,125)(H,113,126)(H,114,128)/b37-35+/t50-,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][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:66](=[N:114][C@@H:54]([CH2:48][O:150][C@H:103]1[C@H:87]([OH:146])[C@@H:83]([OH:142])[C@H:94]([O:165][C@H:108]2[C@H:88]([OH:147])[C@@H:95]([O:167][C@H:101]3[C@H:68]([N:112]=[C:52]([CH3:5])[OH:125])[C@@H:78]([OH:137])[C@H:92]([O:164][C@H:109]4[C@H:90]([OH:149])[C@@H:97]([O:168][C@H:102]5[C@H:69]([N:113]=[C:53]([CH3:6])[OH:126])[C@@H:79]([OH:138])[C@H:93]([O:166][C@H:110]6[C@H:99]([O:171][C@@H:104]7[C@@H:84]([OH:143])[C@H:80]([OH:139])[C@H:70]([OH:129])[C@@H:50]([CH3:3])[O:152]7)[C@@H:98]([O:170][C@@H:106]7[C@H:86]([OH:145])[C@@H:82]([OH:141])[C@@H:72]([OH:131])[C@@H:57]([CH2:40][OH:116])[O:154]7)[C@@H:75]([OH:134])[C@@H:60]([CH2:43][OH:119])[O:157]6)[C@@H:63]([CH2:46][OH:122])[O:160]5)[C@@H:76]([OH:135])[C@@H:65]([CH2:49][O:151][C@H:100]5[C@H:67]([N:111]=[C:51]([CH3:4])[OH:124])[C@@H:77]([OH:136])[C@H:91]([O:163][C@H:107]6[C@H:89]([OH:148])[C@@H:96]([O:169][C@@H:105]7[C@H:85]([OH:144])[C@@H:81]([OH:140])[C@@H:71]([OH:130])[C@@H:56]([CH2:39][OH:115])[O:153]7)[C@@H:74]([OH:133])[C@@H:59]([CH2:42][OH:118])[O:155]6)[C@@H:61]([CH2:44][OH:120])[O:158]5)[O:162]4)[C@@H:62]([CH2:45][OH:121])[O:159]3)[C@@H:73]([OH:132])[C@@H:58]([CH2:41][OH:117])[O:156]2)[C@@H:64]([CH2:47][OH:123])[O:161]1)[C@@H:55](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:127])[OH:128] |
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