| Properties | Image |
|---|
| MNX_ID | MNXM523137 |
 |
| reference | glycosphingo:QOPBVKWFWTZXTF_GHCLNWKBSA_L |
| formula | C70H115N3O29 |
| global charge | -2 |
| mol weight | 1462.682 |
| InChIKey | QOPBVKWFWTZXTF-GHCLNWKBSA-L |
| InChI | InChI=1S/C70H117N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h7,9,13,15,19-20,24,26,31,33,44-51,53-66,74-77,80-83,85-90H,5-6,8,10-12,14,16-18,21-23,25,27-30,32,34-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/p-2/b9-7-,15-13-,20-19-,26-24-,33-31+/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62+,63+,64-,65+,66-,69+,70-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C70H117N3O29/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74/h7,9,13,15,19-20,24,26,31,33,44-51,53-66,74-77,80-83,85-90H,5-6,8,10-12,14,16-18,21-23,25,27-30,32,34-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94)/b9-7-,15-13-,20-19-,26-24-,33-31+/t44-,45+,46-,47-,48+,49+,50+,51+,53+,54+,55+,56-,57+,58+,59+,60+,61+,62+,63+,64-,65+,66-,69+,70-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:32][CH2:34][C:52](=[N:73][C@@H:44]([CH2:41][O:95][C@H:65]1[C@H:59]([OH:89])[C@@H:58]([OH:88])[C@H:61]([O:98][C@H:66]2[C@H:60]([OH:90])[C@@H:64]([O:102][C@:70]3([C:68](=[O:93])[OH:94])[CH2:36][C@H:47]([OH:82])[C@@H:54]([N:72]=[C:43]([CH3:4])[OH:79])[C@H:63]([C@@H:57]([C@@H:50]([CH2:39][OH:76])[O:99][C@:69]4([C:67](=[O:91])[OH:92])[CH2:35][C@H:46]([OH:81])[C@@H:53]([N:71]=[C:42]([CH3:3])[OH:78])[C@H:62]([C@@H:55]([C@@H:48]([CH2:37][OH:74])[OH:83])[OH:85])[O:100]4)[OH:87])[O:101]3)[C@@H:56]([OH:86])[C@@H:49]([CH2:38][OH:75])[O:96]2)[C@@H:51]([CH2:40][OH:77])[O:97]1)[C@@H:45](/[CH:33]=[CH:31]/[CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:80])[OH:84] |
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