| Properties | Image |
|---|
| MNX_ID | MNXM23276 |
 |
| reference | glycosphingo:UAGMQCSTZKQLHJ_SVXNWOQMSA_N |
| formula | C82H146N2O39 |
| global charge | 0 |
| mol weight | 1784.045 |
| InChIKey | UAGMQCSTZKQLHJ-SVXNWOQMSA-N |
| InChI | InChI=1S/C82H146N2O39/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-56(96)84-46(47(91)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)43-112-76-66(105)64(103)70(53(41-88)115-76)119-77-67(106)65(104)69(54(42-89)116-77)118-75-57(83-45(3)90)71(63(102)55(117-75)44-113-81(79(108)109)36-48(92)58(97)72(121-81)60(99)50(94)38-85)120-78-68(107)74(62(101)52(40-87)114-78)123-82(80(110)111)37-49(93)59(98)73(122-82)61(100)51(95)39-86/h32,34,46-55,57-78,85-89,91-95,97-107H,4-31,33,35-44H2,1-3H3,(H,83,90)(H,84,96)(H,108,109)(H,110,111)/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-,81+,82-/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@]4(C(=O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O4)[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](O)[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/C82H146N2O39/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-56(96)84-46(47(91)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)43-112-76-66(105)64(103)70(53(41-88)115-76)119-77-67(106)65(104)69(54(42-89)116-77)118-75-57(83-45(3)90)71(63(102)55(117-75)44-113-81(79(108)109)36-48(92)58(97)72(121-81)60(99)50(94)38-85)120-78-68(107)74(62(101)52(40-87)114-78)123-82(80(110)111)37-49(93)59(98)73(122-82)61(100)51(95)39-86/h32,34,46-55,57-78,85-89,91-95,97-107H,4-31,33,35-44H2,1-3H3,(H,83,90)(H,84,96)(H,108,109)(H,110,111)/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-,81+,82-/m0/s1 |
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| 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:84][C@@H:46]([CH2:43][O:112][C@H:76]1[C@H:66]([OH:105])[C@@H:64]([OH:103])[C@H:70]([O:119][C@H:77]2[C@H:67]([OH:106])[C@@H:65]([OH:104])[C@@H:69]([O:118][C@H:75]3[C@H:57]([N:83]=[C:45]([CH3:3])[OH:90])[C@@H:71]([O:120][C@H:78]4[C@H:68]([OH:107])[C@@H:74]([O:123][C@:82]5([C:80](=[O:110])[OH:111])[CH2:37][C@H:49]([OH:93])[C@@H:59]([OH:98])[C@H:73]([C@@H:61]([C@@H:51]([CH2:39][OH:86])[OH:95])[OH:100])[O:122]5)[C@@H:62]([OH:101])[C@@H:52]([CH2:40][OH:87])[O:114]4)[C@@H:63]([OH:102])[C@@H:55]([CH2:44][O:113][C@:81]4([C:79](=[O:108])[OH:109])[CH2:36][C@H:48]([OH:92])[C@@H:58]([OH:97])[C@H:72]([C@@H:60]([C@@H:50]([CH2:38][OH:85])[OH:94])[OH:99])[O:121]4)[O:117]3)[C@@H:54]([CH2:42][OH:89])[O:116]2)[C@@H:53]([CH2:41][OH:88])[O:115]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:91])[OH:96] |
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