| Properties | Image |
|---|
| MNX_ID | MNXM1102460 |
 |
| reference | glycosphingo:SUGCFWVJMHVWNH_RFGQWGAQSA_L |
| formula | C92H158N4O40 |
| global charge | -2 |
| mol weight | 1960.264 |
| InChIKey | SUGCFWVJMHVWNH-RFGQWGAQSA-L |
| InChI | InChI=1S/C92H160N4O40/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-66(111)96-56(57(106)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)50-125-86-75(117)74(116)78(64(48-100)128-86)130-88-77(119)84(136-92(90(122)123)44-59(108)67(93-52(3)102)81(133-92)70(112)60(109)45-97)79(65(49-101)129-88)131-85-69(95-54(5)104)80(72(114)62(46-98)126-85)132-87-76(118)83(73(115)63(47-99)127-87)135-91(89(120)121)43-58(107)68(94-53(4)103)82(134-91)71(113)61(110)51-124-55(6)105/h21-22,39,41,56-65,67-88,97-101,106-110,112-119H,7-20,23-38,40,42-51H2,1-6H3,(H,93,102)(H,94,103)(H,95,104)(H,96,111)(H,120,121)(H,122,123)/p-2/b22-21-,41-39+/t56-,57+,58-,59-,60+,61+,62+,63+,64+,65+,67+,68+,69+,70+,71+,72-,73-,74+,75+,76+,77+,78+,79-,80+,81+,82+,83-,84+,85-,86+,87-,88-,91-,92-/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C92H160N4O40/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-66(111)96-56(57(106)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)50-125-86-75(117)74(116)78(64(48-100)128-86)130-88-77(119)84(136-92(90(122)123)44-59(108)67(93-52(3)102)81(133-92)70(112)60(109)45-97)79(65(49-101)129-88)131-85-69(95-54(5)104)80(72(114)62(46-98)126-85)132-87-76(118)83(73(115)63(47-99)127-87)135-91(89(120)121)43-58(107)68(94-53(4)103)82(134-91)71(113)61(110)51-124-55(6)105/h21-22,39,41,56-65,67-88,97-101,106-110,112-119H,7-20,23-38,40,42-51H2,1-6H3,(H,93,102)(H,94,103)(H,95,104)(H,96,111)(H,120,121)(H,122,123)/b22-21-,41-39+/t56-,57+,58-,59-,60+,61+,62+,63+,64+,65+,67+,68+,69+,70+,71+,72-,73-,74+,75+,76+,77+,78+,79-,80+,81+,82+,83-,84+,85-,86+,87-,88-,91-,92-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:66](=[N:96][C@@H:56]([CH2:50][O:125][C@H:86]1[C@H:75]([OH:117])[C@@H:74]([OH:116])[C@H:78]([O:130][C@H:88]2[C@H:77]([OH:119])[C@@H:84]([O:136][C@:92]3([C:90](=[O:122])[OH:123])[CH2:44][C@H:59]([OH:108])[C@@H:67]([N:93]=[C:52]([CH3:3])[OH:102])[C@H:81]([C@@H:70]([C@@H:60]([CH2:45][OH:97])[OH:109])[OH:112])[O:133]3)[C@@H:79]([O:131][C@H:85]3[C@H:69]([N:95]=[C:54]([CH3:5])[OH:104])[C@@H:80]([O:132][C@H:87]4[C@H:76]([OH:118])[C@@H:83]([O:135][C@:91]5([C:89](=[O:120])[OH:121])[CH2:43][C@H:58]([OH:107])[C@@H:68]([N:94]=[C:53]([CH3:4])[OH:103])[C@H:82]([C@@H:71]([C@@H:61]([CH2:51][O:124][C:55]([CH3:6])=[O:105])[OH:110])[OH:113])[O:134]5)[C@@H:73]([OH:115])[C@@H:63]([CH2:47][OH:99])[O:127]4)[C@@H:72]([OH:114])[C@@H:62]([CH2:46][OH:98])[O:126]3)[C@@H:65]([CH2:49][OH:101])[O:129]2)[C@@H:64]([CH2:48][OH:100])[O:128]1)[C@@H:57](/[CH:41]=[CH:39]/[CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:106])[OH:111] |
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