| Properties | Image |
|---|
| MNX_ID | MNXM1103092 |
 |
| reference | glycosphingo:HWKOUKXLDJPLCX_WSIPSFQKSA_M |
| formula | C83H147N4O37 |
| global charge | -1 |
| mol weight | 1793.08 |
| InChIKey | HWKOUKXLDJPLCX-WSIPSFQKSA-M |
| InChI | InChI=1S/C83H148N4O37/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-57(100)86-48(49(97)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)45-113-79-68(108)66(106)72(54(41-91)116-79)120-80-69(109)67(107)71(55(42-92)117-80)119-78-61(85-47(4)96)74(64(104)53(40-90)115-78)122-81-70(110)76(73(56(43-93)118-81)121-77-60(84-46(3)95)65(105)63(103)52(39-89)114-77)124-83(82(111)112)37-50(98)59(87-58(101)44-94)75(123-83)62(102)51(99)38-88/h33,35,48-56,59-81,88-94,97-99,102-110H,5-32,34,36-45H2,1-4H3,(H,84,95)(H,85,96)(H,86,100)(H,87,101)(H,111,112)/p-1/b35-33+/t48-,49+,50-,51+,52+,53+,54+,55+,56+,59+,60+,61+,62+,63-,64-,65+,66+,67+,68+,69+,70+,71-,72+,73-,74+,75+,76+,77-,78-,79+,80-,81-,83-/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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C83H148N4O37/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-57(100)86-48(49(97)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)45-113-79-68(108)66(106)72(54(41-91)116-79)120-80-69(109)67(107)71(55(42-92)117-80)119-78-61(85-47(4)96)74(64(104)53(40-90)115-78)122-81-70(110)76(73(56(43-93)118-81)121-77-60(84-46(3)95)65(105)63(103)52(39-89)114-77)124-83(82(111)112)37-50(98)59(87-58(101)44-94)75(123-83)62(102)51(99)38-88/h33,35,48-56,59-81,88-94,97-99,102-110H,5-32,34,36-45H2,1-4H3,(H,84,95)(H,85,96)(H,86,100)(H,87,101)(H,111,112)/b35-33+/t48-,49+,50-,51+,52+,53+,54+,55+,56+,59+,60+,61+,62+,63-,64-,65+,66+,67+,68+,69+,70+,71-,72+,73-,74+,75+,76+,77-,78-,79+,80-,81-,83-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:57](=[N:86][C@@H:48]([CH2:45][O:113][C@H:79]1[C@H:68]([OH:108])[C@@H:66]([OH:106])[C@H:72]([O:120][C@H:80]2[C@H:69]([OH:109])[C@@H:67]([OH:107])[C@@H:71]([O:119][C@H:78]3[C@H:61]([N:85]=[C:47]([CH3:4])[OH:96])[C@@H:74]([O:122][C@H:81]4[C@H:70]([OH:110])[C@@H:76]([O:124][C@:83]5([C:82](=[O:111])[OH:112])[CH2:37][C@H:50]([OH:98])[C@@H:59]([N:87]=[C:58]([CH2:44][OH:94])[OH:101])[C@H:75]([C@@H:62]([C@@H:51]([CH2:38][OH:88])[OH:99])[OH:102])[O:123]5)[C@@H:73]([O:121][C@H:77]5[C@H:60]([N:84]=[C:46]([CH3:3])[OH:95])[C@@H:65]([OH:105])[C@@H:63]([OH:103])[C@@H:52]([CH2:39][OH:89])[O:114]5)[C@@H:56]([CH2:43][OH:93])[O:118]4)[C@@H:64]([OH:104])[C@@H:53]([CH2:40][OH:90])[O:115]3)[C@@H:55]([CH2:42][OH:92])[O:117]2)[C@@H:54]([CH2:41][OH:91])[O:116]1)[C@@H:49](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:97])[OH:100] |
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