| Properties | Image |
|---|
| MNX_ID | MNXM24625 |
 |
| reference | glycosphingo:QXISLCAZZWQUHN_JAEHCLIESA_M |
| formula | C73H133N2O26 |
| global charge | -1 |
| mol weight | 1454.855 |
| InChIKey | QXISLCAZZWQUHN-JAEHCLIESA-M |
| InChI | InChI=1S/C73H134N2O26/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-56(84)75-49(50(81)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)47-94-69-63(90)61(88)65(54(45-78)96-69)98-71-64(91)68(66(55(46-79)97-71)99-70-62(89)60(87)59(86)53(44-77)95-70)101-73(72(92)93)42-51(82)57(74-48(3)80)67(100-73)58(85)52(83)43-76/h38,40,49-55,57-71,76-79,81-83,85-91H,4-37,39,41-47H2,1-3H3,(H,74,80)(H,75,84)(H,92,93)/p-1/b40-38+/t49-,50+,51-,52+,53+,54+,55+,57+,58+,59-,60-,61+,62+,63+,64+,65+,66-,67+,68+,69+,70-,71-,73-/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]3O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C73H134N2O26/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-56(84)75-49(50(81)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)47-94-69-63(90)61(88)65(54(45-78)96-69)98-71-64(91)68(66(55(46-79)97-71)99-70-62(89)60(87)59(86)53(44-77)95-70)101-73(72(92)93)42-51(82)57(74-48(3)80)67(100-73)58(85)52(83)43-76/h38,40,49-55,57-71,76-79,81-83,85-91H,4-37,39,41-47H2,1-3H3,(H,74,80)(H,75,84)(H,92,93)/b40-38+/t49-,50+,51-,52+,53+,54+,55+,57+,58+,59-,60-,61+,62+,63+,64+,65+,66-,67+,68+,69+,70-,71-,73-/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][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:56](=[N:75][C@@H:49]([CH2:47][O:94][C@H:69]1[C@H:63]([OH:90])[C@@H:61]([OH:88])[C@H:65]([O:98][C@H:71]2[C@H:64]([OH:91])[C@@H:68]([O:101][C@:73]3([C:72](=[O:92])[OH:93])[CH2:42][C@H:51]([OH:82])[C@@H:57]([N:74]=[C:48]([CH3:3])[OH:80])[C@H:67]([C@@H:58]([C@@H:52]([CH2:43][OH:76])[OH:83])[OH:85])[O:100]3)[C@@H:66]([O:99][C@H:70]3[C@H:62]([OH:89])[C@@H:60]([OH:87])[C@@H:59]([OH:86])[C@@H:53]([CH2:44][OH:77])[O:95]3)[C@@H:55]([CH2:46][OH:79])[O:97]2)[C@@H:54]([CH2:45][OH:78])[O:96]1)[C@@H:50](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:81])[OH:84] |
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