| Properties | Image |
|---|
| MNX_ID | MNXM25925 |
 |
| reference | glycosphingo:RJZHCDKUISCNEX_PZBJFBTRSA_M |
| formula | C67H120N3O26 |
| global charge | -1 |
| mol weight | 1383.692 |
| InChIKey | RJZHCDKUISCNEX-PZBJFBTRSA-M |
| InChI | InChI=1S/C67H121N3O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(79)70-43(44(76)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)39-89-64-58(85)56(83)61(47(37-72)91-64)95-65-59(86)57(84)60(48(38-73)92-65)94-63-52(69-42(4)75)55(82)54(81)49(93-63)40-90-67(66(87)88)35-45(77)51(68-41(3)74)62(96-67)53(80)46(78)36-71/h31,33,43-49,51-65,71-73,76-78,80-86H,5-30,32,34-40H2,1-4H3,(H,68,74)(H,69,75)(H,70,79)(H,87,88)/p-1/b33-31+/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61+,62+,63-,64+,65-,67+/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](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H121N3O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(79)70-43(44(76)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)39-89-64-58(85)56(83)61(47(37-72)91-64)95-65-59(86)57(84)60(48(38-73)92-65)94-63-52(69-42(4)75)55(82)54(81)49(93-63)40-90-67(66(87)88)35-45(77)51(68-41(3)74)62(96-67)53(80)46(78)36-71/h31,33,43-49,51-65,71-73,76-78,80-86H,5-30,32,34-40H2,1-4H3,(H,68,74)(H,69,75)(H,70,79)(H,87,88)/b33-31+/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61+,62+,63-,64+,65-,67+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:50](=[N:70][C@@H:43]([CH2:39][O:89][C@H:64]1[C@H:58]([OH:85])[C@@H:56]([OH:83])[C@H:61]([O:95][C@H:65]2[C@H:59]([OH:86])[C@@H:57]([OH:84])[C@@H:60]([O:94][C@H:63]3[C@H:52]([N:69]=[C:42]([CH3:4])[OH:75])[C@@H:55]([OH:82])[C@@H:54]([OH:81])[C@@H:49]([CH2:40][O:90][C@:67]4([C:66](=[O:87])[OH:88])[CH2:35][C@H:45]([OH:77])[C@@H:51]([N:68]=[C:41]([CH3:3])[OH:74])[C@H:62]([C@@H:53]([C@@H:46]([CH2:36][OH:71])[OH:78])[OH:80])[O:96]4)[O:93]3)[C@@H:48]([CH2:38][OH:73])[O:92]2)[C@@H:47]([CH2:37][OH:72])[O:91]1)[C@@H:44](/[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:76])[OH:79] |
|