| Properties | Image |
|---|
| MNX_ID | MNXM25822 |
 |
| reference | glycosphingo:QQHMZZGJSFUXQW_RFGXDRQWSA_N |
| formula | C90H160N4O43 |
| global charge | 0 |
| mol weight | 1986.255 |
| InChIKey | QQHMZZGJSFUXQW-RFGXDRQWSA-N |
| InChI | InChI=1S/C90H160N4O43/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(106)94-48(49(105)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-122-86-74(119)71(116)80(56(42-101)130-86)135-89-75(120)81(64(109)52(38-97)126-89)136-84-61(93-47(5)104)68(113)79(55(41-100)129-84)134-90-76(121)82(137-85-60(92-46(4)103)67(112)78(54(40-99)128-85)133-88-73(118)70(115)63(108)51(37-96)125-88)65(110)57(131-90)44-123-83-59(91-45(3)102)66(111)77(53(39-98)127-83)132-87-72(117)69(114)62(107)50(36-95)124-87/h32,34,48-57,59-90,95-101,105,107-121H,6-31,33,35-44H2,1-5H3,(H,91,102)(H,92,103)(H,93,104)(H,94,106)/b34-32+/t48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,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-,89-,90-/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]4O[C@H](CO[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](O)[C@H]5NC(C)=O)[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](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)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C90H160N4O43/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-58(106)94-48(49(105)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-122-86-74(119)71(116)80(56(42-101)130-86)135-89-75(120)81(64(109)52(38-97)126-89)136-84-61(93-47(5)104)68(113)79(55(41-100)129-84)134-90-76(121)82(137-85-60(92-46(4)103)67(112)78(54(40-99)128-85)133-88-73(118)70(115)63(108)51(37-96)125-88)65(110)57(131-90)44-123-83-59(91-45(3)102)66(111)77(53(39-98)127-83)132-87-72(117)69(114)62(107)50(36-95)124-87/h32,34,48-57,59-90,95-101,105,107-121H,6-31,33,35-44H2,1-5H3,(H,91,102)(H,92,103)(H,93,104)(H,94,106)/b34-32+/t48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,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-,89-,90-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:58](=[N:94][C@@H:48]([CH2:43][O:122][C@H:86]1[C@H:74]([OH:119])[C@@H:71]([OH:116])[C@H:80]([O:135][C@H:89]2[C@H:75]([OH:120])[C@@H:81]([O:136][C@H:84]3[C@H:61]([N:93]=[C:47]([CH3:5])[OH:104])[C@@H:68]([OH:113])[C@H:79]([O:134][C@H:90]4[C@H:76]([OH:121])[C@@H:82]([O:137][C@H:85]5[C@H:60]([N:92]=[C:46]([CH3:4])[OH:103])[C@@H:67]([OH:112])[C@H:78]([O:133][C@H:88]6[C@H:73]([OH:118])[C@@H:70]([OH:115])[C@@H:63]([OH:108])[C@@H:51]([CH2:37][OH:96])[O:125]6)[C@@H:54]([CH2:40][OH:99])[O:128]5)[C@@H:65]([OH:110])[C@@H:57]([CH2:44][O:123][C@H:83]5[C@H:59]([N:91]=[C:45]([CH3:3])[OH:102])[C@@H:66]([OH:111])[C@H:77]([O:132][C@H:87]6[C@H:72]([OH:117])[C@@H:69]([OH:114])[C@@H:62]([OH:107])[C@@H:50]([CH2:36][OH:95])[O:124]6)[C@@H:53]([CH2:39][OH:98])[O:127]5)[O:131]4)[C@@H:55]([CH2:41][OH:100])[O:129]3)[C@@H:64]([OH:109])[C@@H:52]([CH2:38][OH:97])[O:126]2)[C@@H:56]([CH2:42][OH:101])[O:130]1)[C@@H:49](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:105])[OH:106] |
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