| Properties | Image |
|---|
| MNX_ID | MNXM23964 |
 |
| reference | lipidmapsM:LMSP0504AO04 |
| formula | C88H158N4O38 |
| global charge | 0 |
| mol weight | 1880.222 |
| InChIKey | HSTVZGKLSVUCPE-RNCOSJKTSA-N |
| InChI | InChI=1S/C88H158N4O38/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-60(104)92-51(52(103)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)47-117-85-72(113)71(112)76(59(46-99)124-85)125-86-73(114)80(68(109)56(43-96)121-86)129-83-62(90-49(4)101)78(66(107)54(41-94)119-83)127-88-75(116)81(69(110)58(45-98)123-88)130-84-63(91-50(5)102)77(65(106)55(42-95)120-84)126-87-74(115)79(67(108)57(44-97)122-87)128-82-61(89-48(3)100)70(111)64(105)53(40-93)118-82/h36,38,51-59,61-88,93-99,103,105-116H,6-35,37,39-47H2,1-5H3,(H,89,100)(H,90,101)(H,91,102)(H,92,104)/b38-36+/t51-,52+,53+,54+,55+,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80-,81-,82+,83-,84-,85+,86-,87-,88-/m0/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](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[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]5NC(C)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C88H158N4O38/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-60(104)92-51(52(103)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)47-117-85-72(113)71(112)76(59(46-99)124-85)125-86-73(114)80(68(109)56(43-96)121-86)129-83-62(90-49(4)101)78(66(107)54(41-94)119-83)127-88-75(116)81(69(110)58(45-98)123-88)130-84-63(91-50(5)102)77(65(106)55(42-95)120-84)126-87-74(115)79(67(108)57(44-97)122-87)128-82-61(89-48(3)100)70(111)64(105)53(40-93)118-82/h36,38,51-59,61-88,93-99,103,105-116H,6-35,37,39-47H2,1-5H3,(H,89,100)(H,90,101)(H,91,102)(H,92,104)/b38-36+/t51-,52+,53+,54+,55+,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79-,80-,81-,82+,83-,84-,85+,86-,87-,88-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:60](=[N:92][C@@H:51]([CH2:47][O:117][C@H:85]1[C@H:72]([OH:113])[C@@H:71]([OH:112])[C@H:76]([O:125][C@H:86]2[C@H:73]([OH:114])[C@@H:80]([O:129][C@H:83]3[C@H:62]([N:90]=[C:49]([CH3:4])[OH:101])[C@@H:78]([O:127][C@H:88]4[C@H:75]([OH:116])[C@@H:81]([O:130][C@H:84]5[C@H:63]([N:91]=[C:50]([CH3:5])[OH:102])[C@@H:77]([O:126][C@H:87]6[C@H:74]([OH:115])[C@@H:79]([O:128][C@@H:82]7[C@H:61]([N:89]=[C:48]([CH3:3])[OH:100])[C@@H:70]([OH:111])[C@@H:64]([OH:105])[C@@H:53]([CH2:40][OH:93])[O:118]7)[C@@H:67]([OH:108])[C@@H:57]([CH2:44][OH:97])[O:122]6)[C@H:65]([OH:106])[C@@H:55]([CH2:42][OH:95])[O:120]5)[C@@H:69]([OH:110])[C@@H:58]([CH2:45][OH:98])[O:123]4)[C@H:66]([OH:107])[C@@H:54]([CH2:41][OH:94])[O:119]3)[C@@H:68]([OH:109])[C@@H:56]([CH2:43][OH:96])[O:121]2)[C@@H:59]([CH2:46][OH:99])[O:124]1)[C@@H:52](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:103])[OH:104] |
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