| Properties | Image |
|---|
| MNX_ID | MNXM26685 |
 |
| reference | lipidmapsM:LMSP0505BA06 |
| formula | C102H183N3O45 |
| global charge | 0 |
| mol weight | 2171.562 |
| InChIKey | DOZCYAFSXBEAOP-COGGTFQASA-N |
| InChI | InChI=1S/C102H183N3O45/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-66(115)105-58(59(114)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)52-133-96-83(130)79(126)86(63(49-109)142-96)143-100-84(131)91(73(120)61(47-107)137-100)148-94-67(103-56(6)112)89(146-97-80(127)75(122)69(116)53(3)134-97)87(64(50-110)140-94)144-101-85(132)92(74(121)62(48-108)138-101)149-95-68(104-57(7)113)90(147-98-81(128)76(123)70(117)54(4)135-98)88(65(51-111)141-95)145-102-93(78(125)72(119)60(46-106)139-102)150-99-82(129)77(124)71(118)55(5)136-99/h42,44,53-55,58-65,67-102,106-111,114,116-132H,8-41,43,45-52H2,1-7H3,(H,103,112)(H,104,113)(H,105,115)/b44-42+/t53-,54-,55-,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+/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]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C102H183N3O45/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-66(115)105-58(59(114)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)52-133-96-83(130)79(126)86(63(49-109)142-96)143-100-84(131)91(73(120)61(47-107)137-100)148-94-67(103-56(6)112)89(146-97-80(127)75(122)69(116)53(3)134-97)87(64(50-110)140-94)144-101-85(132)92(74(121)62(48-108)138-101)149-95-68(104-57(7)113)90(147-98-81(128)76(123)70(117)54(4)135-98)88(65(51-111)141-95)145-102-93(78(125)72(119)60(46-106)139-102)150-99-82(129)77(124)71(118)55(5)136-99/h42,44,53-55,58-65,67-102,106-111,114,116-132H,8-41,43,45-52H2,1-7H3,(H,103,112)(H,104,113)(H,105,115)/b44-42+/t53-,54-,55-,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+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:66](=[N:105][C@@H:58]([CH2:52][O:133][C@H:96]1[C@H:83]([OH:130])[C@@H:79]([OH:126])[C@H:86]([O:143][C@H:100]2[C@H:84]([OH:131])[C@@H:91]([O:148][C@H:94]3[C@H:67]([N:103]=[C:56]([CH3:6])[OH:112])[C@@H:89]([O:146][C@@H:97]4[C@@H:80]([OH:127])[C@H:75]([OH:122])[C@H:69]([OH:116])[C@@H:53]([CH3:3])[O:134]4)[C@H:87]([O:144][C@H:101]4[C@H:85]([OH:132])[C@@H:92]([O:149][C@H:95]5[C@H:68]([N:104]=[C:57]([CH3:7])[OH:113])[C@@H:90]([O:147][C@@H:98]6[C@@H:81]([OH:128])[C@H:76]([OH:123])[C@H:70]([OH:117])[C@@H:54]([CH3:4])[O:135]6)[C@H:88]([O:145][C@H:102]6[C@H:93]([O:150][C@@H:99]7[C@@H:82]([OH:129])[C@H:77]([OH:124])[C@H:71]([OH:118])[C@@H:55]([CH3:5])[O:136]7)[C@@H:78]([OH:125])[C@@H:72]([OH:119])[C@@H:60]([CH2:46][OH:106])[O:139]6)[C@@H:65]([CH2:51][OH:111])[O:141]5)[C@@H:74]([OH:121])[C@@H:62]([CH2:48][OH:108])[O:138]4)[C@@H:64]([CH2:50][OH:110])[O:140]3)[C@@H:73]([OH:120])[C@@H:61]([CH2:47][OH:107])[O:137]2)[C@@H:63]([CH2:49][OH:109])[O:142]1)[C@@H:59](/[CH:44]=[CH:42]/[CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:114])[OH:115] |
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