| Properties | Image |
|---|
| MNX_ID | MNXM1062169 |
 |
| reference | slm:000754789 |
| formula | C75H134N3O38 |
| global charge | -1 |
| mol weight | 1685.88 |
| InChIKey | ZUPASRIUFRUPMW-LVMVMDLQSA-M |
| InChI | InChI=1S/C75H135N3O38/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-40(87)52(92)39(77-48(90)28-26-24-22-20-17-15-13-11-9-7-5-2)37-105-70-59(99)57(97)63(46(34-83)109-70)111-71-60(100)58(98)64(47(35-84)110-71)112-72-61(101)67(55(95)44(32-81)107-72)114-69-51(76-38(3)86)65(54(94)43(31-80)106-69)113-73-62(102)68(56(96)45(33-82)108-73)116-75(74(103)104)29-41(88)50(78-49(91)36-85)66(115-75)53(93)42(89)30-79/h39-47,50-73,79-85,87-89,92-102H,4-37H2,1-3H3,(H,76,86)(H,77,90)(H,78,91)(H,103,104)/p-1/t39-,40+,41-,42+,43+,44+,45+,46+,47+,50+,51+,52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,62+,63+,64-,65+,66+,67-,68-,69-,70+,71-,72+,73-,75-/m0/s1 |
| SMILES | CCCCCCCCCCCCCC[C@@H](O)[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](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C75H135N3O38/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-40(87)52(92)39(77-48(90)28-26-24-22-20-17-15-13-11-9-7-5-2)37-105-70-59(99)57(97)63(46(34-83)109-70)111-71-60(100)58(98)64(47(35-84)110-71)112-72-61(101)67(55(95)44(32-81)107-72)114-69-51(76-38(3)86)65(54(94)43(31-80)106-69)113-73-62(102)68(56(96)45(33-82)108-73)116-75(74(103)104)29-41(88)50(78-49(91)36-85)66(115-75)53(93)42(89)30-79/h39-47,50-73,79-85,87-89,92-102H,4-37H2,1-3H3,(H,76,86)(H,77,90)(H,78,91)(H,103,104)/t39-,40+,41-,42+,43+,44+,45+,46+,47+,50+,51+,52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,62+,63+,64-,65+,66+,67-,68-,69-,70+,71-,72+,73-,75-/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][CH2:21][CH2:23][CH2:25][CH2:27][C@H:40]([C@H:52]([C@H:39]([CH2:37][O:105][C@H:70]1[C@H:59]([OH:99])[C@@H:57]([OH:97])[C@H:63]([O:111][C@H:71]2[C@H:60]([OH:100])[C@@H:58]([OH:98])[C@@H:64]([O:112][C@@H:72]3[C@H:61]([OH:101])[C@@H:67]([O:114][C@H:69]4[C@H:51]([N:76]=[C:38]([CH3:3])[OH:86])[C@@H:65]([O:113][C@H:73]5[C@H:62]([OH:102])[C@@H:68]([O:116][C@:75]6([C:74](=[O:103])[OH:104])[CH2:29][C@H:41]([OH:88])[C@@H:50]([N:78]=[C:49]([CH2:36][OH:85])[OH:91])[C@H:66]([C@@H:53]([C@@H:42]([CH2:30][OH:79])[OH:89])[OH:93])[O:115]6)[C@@H:56]([OH:96])[C@@H:45]([CH2:33][OH:82])[O:108]5)[C@@H:54]([OH:94])[C@@H:43]([CH2:31][OH:80])[O:106]4)[C@@H:55]([OH:95])[C@@H:44]([CH2:32][OH:81])[O:107]3)[C@@H:47]([CH2:35][OH:84])[O:110]2)[C@@H:46]([CH2:34][OH:83])[O:109]1)[N:77]=[C:48]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:90])[OH:92])[OH:87] |
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