| Properties | Image |
|---|
| MNX_ID | MNXM23788 |
 |
| reference | glycosphingo:HDCOGQDIUIUDST_MRCDOEOTSA_N |
| formula | C88H158N2O43 |
| global charge | 0 |
| mol weight | 1932.203 |
| InChIKey | HDCOGQDIUIUDST-MRCDOEOTSA-N |
| InChI | InChI=1S/C88H158N2O43/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-56(101)90-46(47(100)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)44-118-82-67(111)65(109)74(54(42-97)125-82)127-83-68(112)66(110)75(55(43-98)126-83)128-84-70(114)77(60(104)50(38-93)120-84)130-86-72(116)79(62(106)52(40-95)122-86)132-88-73(117)80(63(107)53(41-96)124-88)133-87-71(115)78(61(105)51(39-94)123-87)131-85-69(113)76(59(103)49(37-92)121-85)129-81-57(89-45(3)99)64(108)58(102)48(36-91)119-81/h32,34,46-55,57-88,91-98,100,102-117H,4-31,33,35-44H2,1-3H3,(H,89,99)(H,90,101)/b34-32+/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]8NC(C)=O)[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)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C88H158N2O43/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-56(101)90-46(47(100)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)44-118-82-67(111)65(109)74(54(42-97)125-82)127-83-68(112)66(110)75(55(43-98)126-83)128-84-70(114)77(60(104)50(38-93)120-84)130-86-72(116)79(62(106)52(40-95)122-86)132-88-73(117)80(63(107)53(41-96)124-88)133-87-71(115)78(61(105)51(39-94)123-87)131-85-69(113)76(59(103)49(37-92)121-85)129-81-57(89-45(3)99)64(108)58(102)48(36-91)119-81/h32,34,46-55,57-88,91-98,100,102-117H,4-31,33,35-44H2,1-3H3,(H,89,99)(H,90,101)/b34-32+/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][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:56](=[N:90][C@@H:46]([CH2:44][O:118][C@H:82]1[C@H:67]([OH:111])[C@@H:65]([OH:109])[C@H:74]([O:127][C@H:83]2[C@H:68]([OH:112])[C@@H:66]([OH:110])[C@@H:75]([O:128][C@@H:84]3[C@H:70]([OH:114])[C@@H:77]([O:130][C@@H:86]4[C@H:72]([OH:116])[C@@H:79]([O:132][C@@H:88]5[C@H:73]([OH:117])[C@@H:80]([O:133][C@@H:87]6[C@H:71]([OH:115])[C@@H:78]([O:131][C@@H:85]7[C@H:69]([OH:113])[C@@H:76]([O:129][C@H:81]8[C@H:57]([N:89]=[C:45]([CH3:3])[OH:99])[C@@H:64]([OH:108])[C@@H:58]([OH:102])[C@@H:48]([CH2:36][OH:91])[O:119]8)[C@@H:59]([OH:103])[C@@H:49]([CH2:37][OH:92])[O:121]7)[C@@H:61]([OH:105])[C@@H:51]([CH2:39][OH:94])[O:123]6)[C@@H:63]([OH:107])[C@@H:53]([CH2:41][OH:96])[O:124]5)[C@@H:62]([OH:106])[C@@H:52]([CH2:40][OH:95])[O:122]4)[C@@H:60]([OH:104])[C@@H:50]([CH2:38][OH:93])[O:120]3)[C@@H:55]([CH2:43][OH:98])[O:126]2)[C@@H:54]([CH2:42][OH:97])[O:125]1)[C@@H:47](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:100])[OH:101] |
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