| Properties | Image |
|---|
| MNX_ID | MNXM24853 |
 |
| reference | glycosphingo:GDHJOWHAJHRIID_KAYNCZHHSA_N |
| formula | C96H172N4O43 |
| global charge | 0 |
| mol weight | 2070.417 |
| InChIKey | GDHJOWHAJHRIID-KAYNCZHHSA-N |
| InChI | InChI=1S/C96H172N4O43/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(112)100-54(55(111)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)49-128-92-80(125)77(122)86(62(48-107)136-92)141-95-81(126)87(70(115)58(44-103)132-95)142-90-67(99-53(5)110)74(119)85(61(47-106)135-90)140-96-82(127)88(143-91-66(98-52(4)109)73(118)84(60(46-105)134-91)139-94-79(124)76(121)69(114)57(43-102)131-94)71(116)63(137-96)50-129-89-65(97-51(3)108)72(117)83(59(45-104)133-89)138-93-78(123)75(120)68(113)56(42-101)130-93/h38,40,54-63,65-96,101-107,111,113-127H,6-37,39,41-50H2,1-5H3,(H,97,108)(H,98,109)(H,99,110)(H,100,112)/b40-38+/t54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,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-,91-,92+,93-,94-,95-,96-/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)CCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C96H172N4O43/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(112)100-54(55(111)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)49-128-92-80(125)77(122)86(62(48-107)136-92)141-95-81(126)87(70(115)58(44-103)132-95)142-90-67(99-53(5)110)74(119)85(61(47-106)135-90)140-96-82(127)88(143-91-66(98-52(4)109)73(118)84(60(46-105)134-91)139-94-79(124)76(121)69(114)57(43-102)131-94)71(116)63(137-96)50-129-89-65(97-51(3)108)72(117)83(59(45-104)133-89)138-93-78(123)75(120)68(113)56(42-101)130-93/h38,40,54-63,65-96,101-107,111,113-127H,6-37,39,41-50H2,1-5H3,(H,97,108)(H,98,109)(H,99,110)(H,100,112)/b40-38+/t54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,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-,91-,92+,93-,94-,95-,96-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:64](=[N:100][C@@H:54]([CH2:49][O:128][C@H:92]1[C@H:80]([OH:125])[C@@H:77]([OH:122])[C@H:86]([O:141][C@H:95]2[C@H:81]([OH:126])[C@@H:87]([O:142][C@H:90]3[C@H:67]([N:99]=[C:53]([CH3:5])[OH:110])[C@@H:74]([OH:119])[C@H:85]([O:140][C@H:96]4[C@H:82]([OH:127])[C@@H:88]([O:143][C@H:91]5[C@H:66]([N:98]=[C:52]([CH3:4])[OH:109])[C@@H:73]([OH:118])[C@H:84]([O:139][C@H:94]6[C@H:79]([OH:124])[C@@H:76]([OH:121])[C@@H:69]([OH:114])[C@@H:57]([CH2:43][OH:102])[O:131]6)[C@@H:60]([CH2:46][OH:105])[O:134]5)[C@@H:71]([OH:116])[C@@H:63]([CH2:50][O:129][C@H:89]5[C@H:65]([N:97]=[C:51]([CH3:3])[OH:108])[C@@H:72]([OH:117])[C@H:83]([O:138][C@H:93]6[C@H:78]([OH:123])[C@@H:75]([OH:120])[C@@H:68]([OH:113])[C@@H:56]([CH2:42][OH:101])[O:130]6)[C@@H:59]([CH2:45][OH:104])[O:133]5)[O:137]4)[C@@H:61]([CH2:47][OH:106])[O:135]3)[C@@H:70]([OH:115])[C@@H:58]([CH2:44][OH:103])[O:132]2)[C@@H:62]([CH2:48][OH:107])[O:136]1)[C@@H:55](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:111])[OH:112] |
|