| Properties | Image |
|---|
| MNX_ID | MNXM23924 |
 |
| reference | lipidmapsM:LMSP0505BD06 |
| formula | C104H186N4O47 |
| global charge | 0 |
| mol weight | 2244.613 |
| InChIKey | LVNGAPOOQYBKJH-SLADFCOPSA-N |
| InChI | InChI=1S/C104H186N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-68(121)108-58(59(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)53-138-99-84(134)81(131)90(66(51-115)147-99)150-104-86(136)94(75(125)62(47-111)143-104)154-97-70(106-56(5)118)77(127)88(64(49-113)145-97)148-102-85(135)93(74(124)61(46-110)141-102)153-96-69(105-55(4)117)78(128)89(65(50-114)144-96)149-103-87(137)95(76(126)63(48-112)142-103)155-98-71(107-57(6)119)92(152-100-82(132)79(129)72(122)54(3)139-100)91(67(52-116)146-98)151-101-83(133)80(130)73(123)60(45-109)140-101/h41,43,54,58-67,69-104,109-116,120,122-137H,7-40,42,44-53H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,121)/b43-41+/t54-,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,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]8O)[C@H](O[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](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)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C104H186N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-68(121)108-58(59(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)53-138-99-84(134)81(131)90(66(51-115)147-99)150-104-86(136)94(75(125)62(47-111)143-104)154-97-70(106-56(5)118)77(127)88(64(49-113)145-97)148-102-85(135)93(74(124)61(46-110)141-102)153-96-69(105-55(4)117)78(128)89(65(50-114)144-96)149-103-87(137)95(76(126)63(48-112)142-103)155-98-71(107-57(6)119)92(152-100-82(132)79(129)72(122)54(3)139-100)91(67(52-116)146-98)151-101-83(133)80(130)73(123)60(45-109)140-101/h41,43,54,58-67,69-104,109-116,120,122-137H,7-40,42,44-53H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,121)/b43-41+/t54-,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,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][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][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:68](=[N:108][C@@H:58]([CH2:53][O:138][C@H:99]1[C@H:84]([OH:134])[C@@H:81]([OH:131])[C@H:90]([O:150][C@H:104]2[C@H:86]([OH:136])[C@@H:94]([O:154][C@H:97]3[C@H:70]([N:106]=[C:56]([CH3:5])[OH:118])[C@@H:77]([OH:127])[C@H:88]([O:148][C@H:102]4[C@H:85]([OH:135])[C@@H:93]([O:153][C@H:96]5[C@H:69]([N:105]=[C:55]([CH3:4])[OH:117])[C@@H:78]([OH:128])[C@H:89]([O:149][C@H:103]6[C@H:87]([OH:137])[C@@H:95]([O:155][C@H:98]7[C@H:71]([N:107]=[C:57]([CH3:6])[OH:119])[C@@H:92]([O:152][C@@H:100]8[C@@H:82]([OH:132])[C@H:79]([OH:129])[C@H:72]([OH:122])[C@@H:54]([CH3:3])[O:139]8)[C@H:91]([O:151][C@H:101]8[C@H:83]([OH:133])[C@@H:80]([OH:130])[C@@H:73]([OH:123])[C@@H:60]([CH2:45][OH:109])[O:140]8)[C@@H:67]([CH2:52][OH:116])[O:146]7)[C@@H:76]([OH:126])[C@@H:63]([CH2:48][OH:112])[O:142]6)[C@@H:65]([CH2:50][OH:114])[O:144]5)[C@@H:74]([OH:124])[C@@H:61]([CH2:46][OH:110])[O:141]4)[C@@H:64]([CH2:49][OH:113])[O:145]3)[C@@H:75]([OH:125])[C@@H:62]([CH2:47][OH:111])[O:143]2)[C@@H:66]([CH2:51][OH:115])[O:147]1)[C@@H:59](/[CH:43]=[CH:41]/[CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:120])[OH:121] |
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