| Properties | Image |
|---|
| MNX_ID | MNXM1064529 |
 |
| reference | glycosphingo:FXWPLDCGWGPMEQ_XYXYYSSWSA_N |
| formula | C84H142N2O37 |
| global charge | 0 |
| mol weight | 1772.037 |
| InChIKey | FXWPLDCGWGPMEQ-XYXYYSSWSA-N |
| InChI | InChI=1S/C84H142N2O37/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(95)86-48(49(94)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-110-79-69(107)66(104)72(55(44-92)117-79)118-82-71(109)75(62(100)53(42-90)114-82)121-83-70(108)74(61(99)52(41-89)115-83)120-78-57(85-47(4)93)73(60(98)51(40-88)112-78)119-84-77(123-80-67(105)64(102)58(96)46(3)111-80)76(63(101)54(43-91)116-84)122-81-68(106)65(103)59(97)50(39-87)113-81/h7,9,13,15,19-20,22-23,26,28,32,34,46,48-55,57-84,87-92,94,96-109H,5-6,8,10-12,14,16-18,21,24-25,27,29-31,33,35-45H2,1-4H3,(H,85,93)(H,86,95)/b9-7-,15-13-,20-19-,23-22-,28-26-,34-32-/t46-,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-,79+,80-,81+,82-,83+,84-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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](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@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C84H142N2O37/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(95)86-48(49(94)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-110-79-69(107)66(104)72(55(44-92)117-79)118-82-71(109)75(62(100)53(42-90)114-82)121-83-70(108)74(61(99)52(41-89)115-83)120-78-57(85-47(4)93)73(60(98)51(40-88)112-78)119-84-77(123-80-67(105)64(102)58(96)46(3)111-80)76(63(101)54(43-91)116-84)122-81-68(106)65(103)59(97)50(39-87)113-81/h7,9,13,15,19-20,22-23,26,28,32,34,46,48-55,57-84,87-92,94,96-109H,5-6,8,10-12,14,16-18,21,24-25,27,29-31,33,35-45H2,1-4H3,(H,85,93)(H,86,95)/b9-7-,15-13-,20-19-,23-22-,28-26-,34-32-/t46-,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-,79+,80-,81+,82-,83+,84-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][C:56](=[N:86][C@@H:48]([CH2:45][O:110][C@H:79]1[C@H:69]([OH:107])[C@@H:66]([OH:104])[C@H:72]([O:118][C@H:82]2[C@H:71]([OH:109])[C@@H:75]([O:121][C@@H:83]3[C@H:70]([OH:108])[C@@H:74]([O:120][C@H:78]4[C@H:57]([N:85]=[C:47]([CH3:4])[OH:93])[C@@H:73]([O:119][C@H:84]5[C@H:77]([O:123][C@H:80]6[C@@H:67]([OH:105])[C@H:64]([OH:102])[C@H:58]([OH:96])[C@H:46]([CH3:3])[O:111]6)[C@@H:76]([O:122][C@@H:81]6[C@H:68]([OH:106])[C@@H:65]([OH:103])[C@@H:59]([OH:97])[C@@H:50]([CH2:39][OH:87])[O:113]6)[C@@H:63]([OH:101])[C@@H:54]([CH2:43][OH:91])[O:116]5)[C@@H:60]([OH:98])[C@@H:51]([CH2:40][OH:88])[O:112]4)[C@@H:61]([OH:99])[C@@H:52]([CH2:41][OH:89])[O:115]3)[C@@H:62]([OH:100])[C@@H:53]([CH2:42][OH:90])[O:114]2)[C@@H:55]([CH2:44][OH:92])[O:117]1)[C@@H:49]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:94])[OH:95] |
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