| Properties | Image |
|---|
| MNX_ID | MNXM23391 |
 |
| reference | lipidmapsM:LMSP0502AY04 |
| formula | C88H159NO43 |
| global charge | 0 |
| mol weight | 1919.204 |
| InChIKey | OIHINVLFGKCQNJ-ORAMGLBRSA-N |
| InChI | InChI=1S/C88H159NO43/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-56(99)89-46(47(98)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)45-117-81-67(110)64(107)74(54(43-96)124-81)126-83-68(111)65(108)75(55(44-97)125-83)127-84-69(112)77(59(102)49(38-91)119-84)129-86-71(114)79(61(104)51(40-93)121-86)131-88-73(116)80(62(105)53(42-95)123-88)132-87-72(115)78(60(103)52(41-94)122-87)130-85-70(113)76(58(101)50(39-92)120-85)128-82-66(109)63(106)57(100)48(37-90)118-82/h33,35,46-55,57-88,90-98,100-116H,3-32,34,36-45H2,1-2H3,(H,89,99)/b35-33+/t46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,57-,58-,59-,60-,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]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]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H]6O)[C@H]5O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C88H159NO43/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-56(99)89-46(47(98)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)45-117-81-67(110)64(107)74(54(43-96)124-81)126-83-68(111)65(108)75(55(44-97)125-83)127-84-69(112)77(59(102)49(38-91)119-84)129-86-71(114)79(61(104)51(40-93)121-86)131-88-73(116)80(62(105)53(42-95)123-88)132-87-72(115)78(60(103)52(41-94)122-87)130-85-70(113)76(58(101)50(39-92)120-85)128-82-66(109)63(106)57(100)48(37-90)118-82/h33,35,46-55,57-88,90-98,100-116H,3-32,34,36-45H2,1-2H3,(H,89,99)/b35-33+/t46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,57-,58-,59-,60-,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 (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:56](=[N:89][C@@H:46]([CH2:45][O:117][C@H:81]1[C@H:67]([OH:110])[C@@H:64]([OH:107])[C@H:74]([O:126][C@H:83]2[C@H:68]([OH:111])[C@@H:65]([OH:108])[C@@H:75]([O:127][C@@H:84]3[C@H:69]([OH:112])[C@@H:77]([O:129][C@@H:86]4[C@H:71]([OH:114])[C@@H:79]([O:131][C@@H:88]5[C@H:73]([OH:116])[C@@H:80]([O:132][C@@H:87]6[C@H:72]([OH:115])[C@@H:78]([O:130][C@@H:85]7[C@H:70]([OH:113])[C@@H:76]([O:128][C@@H:82]8[C@H:66]([OH:109])[C@@H:63]([OH:106])[C@@H:57]([OH:100])[C@@H:48]([CH2:37][OH:90])[O:118]8)[C@@H:58]([OH:101])[C@@H:50]([CH2:39][OH:92])[O:120]7)[C@@H:60]([OH:103])[C@@H:52]([CH2:41][OH:94])[O:122]6)[C@@H:62]([OH:105])[C@@H:53]([CH2:42][OH:95])[O:123]5)[C@@H:61]([OH:104])[C@@H:51]([CH2:40][OH:93])[O:121]4)[C@@H:59]([OH:102])[C@@H:49]([CH2:38][OH:91])[O:119]3)[C@@H:55]([CH2:44][OH:97])[O:125]2)[C@@H:54]([CH2:43][OH:96])[O:124]1)[C@@H:47](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:98])[OH:99] |
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