| Properties | Image |
|---|
| MNX_ID | MNXM1102905 |
 |
| reference | glycosphingo:JLRIZQIIBXCJPP_GPLJUUTQSA_M |
| formula | C77H136N3O37 |
| global charge | -1 |
| mol weight | 1695.919 |
| InChIKey | JLRIZQIIBXCJPP-GPLJUUTQSA-M |
| InChI | InChI=1S/C77H137N3O37/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-43(89)42(79-51(92)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)40-106-72-61(100)59(98)65(49(37-85)110-72)112-73-62(101)60(99)66(50(38-86)111-73)113-74-63(102)69(57(96)47(35-83)108-74)115-71-54(78-41(3)88)67(56(95)46(34-82)107-71)114-75-64(103)70(58(97)48(36-84)109-75)117-77(76(104)105)32-44(90)53(80-52(93)39-87)68(116-77)55(94)45(91)33-81/h28,30,42-50,53-75,81-87,89-91,94-103H,4-27,29,31-40H2,1-3H3,(H,78,88)(H,79,92)(H,80,93)(H,104,105)/p-1/b30-28+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66-,67+,68+,69-,70-,71-,72+,73-,74+,75-,77-/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](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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H137N3O37/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-43(89)42(79-51(92)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)40-106-72-61(100)59(98)65(49(37-85)110-72)112-73-62(101)60(99)66(50(38-86)111-73)113-74-63(102)69(57(96)47(35-83)108-74)115-71-54(78-41(3)88)67(56(95)46(34-82)107-71)114-75-64(103)70(58(97)48(36-84)109-75)117-77(76(104)105)32-44(90)53(80-52(93)39-87)68(116-77)55(94)45(91)33-81/h28,30,42-50,53-75,81-87,89-91,94-103H,4-27,29,31-40H2,1-3H3,(H,78,88)(H,79,92)(H,80,93)(H,104,105)/b30-28+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66-,67+,68+,69-,70-,71-,72+,73-,74+,75-,77-/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][CH2:20][CH2:22][CH2:24][CH2:26]/[CH:28]=[CH:30]/[C@H:43]([C@H:42]([CH2:40][O:106][C@H:72]1[C@H:61]([OH:100])[C@@H:59]([OH:98])[C@H:65]([O:112][C@H:73]2[C@H:62]([OH:101])[C@@H:60]([OH:99])[C@@H:66]([O:113][C@@H:74]3[C@H:63]([OH:102])[C@@H:69]([O:115][C@H:71]4[C@H:54]([N:78]=[C:41]([CH3:3])[OH:88])[C@@H:67]([O:114][C@H:75]5[C@H:64]([OH:103])[C@@H:70]([O:117][C@:77]6([C:76](=[O:104])[OH:105])[CH2:32][C@H:44]([OH:90])[C@@H:53]([N:80]=[C:52]([CH2:39][OH:87])[OH:93])[C@H:68]([C@@H:55]([C@@H:45]([CH2:33][OH:81])[OH:91])[OH:94])[O:116]6)[C@@H:58]([OH:97])[C@@H:48]([CH2:36][OH:84])[O:109]5)[C@@H:56]([OH:95])[C@@H:46]([CH2:34][OH:82])[O:107]4)[C@@H:57]([OH:96])[C@@H:47]([CH2:35][OH:83])[O:108]3)[C@@H:50]([CH2:38][OH:86])[O:111]2)[C@@H:49]([CH2:37][OH:85])[O:110]1)[N:79]=[C:51]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:92])[OH:89] |
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