| Properties | Image |
|---|
| MNX_ID | MNXM1102901 |
 |
| reference | glycosphingo:VQNDKBDQWZJESH_WEFDOZSRSA_N |
| formula | C68H124N2O28 |
| global charge | 0 |
| mol weight | 1417.726 |
| InChIKey | VQNDKBDQWZJESH-WEFDOZSRSA-N |
| InChI | InChI=1S/C68H124N2O28/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-48(78)70-41(42(77)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)39-89-65-57(86)54(83)60(46(37-74)93-65)95-67-58(87)55(84)61(47(38-75)94-67)96-68-59(88)63(52(81)45(36-73)92-68)98-64-49(69-40(3)76)62(51(80)44(35-72)90-64)97-66-56(85)53(82)50(79)43(34-71)91-66/h30,32,41-47,49-68,71-75,77,79-88H,4-29,31,33-39H2,1-3H3,(H,69,76)(H,70,78)/b32-30+/t41-,42+,43+,44+,45+,46+,47+,49+,50-,51-,52-,53-,54+,55+,56+,57+,58+,59+,60+,61-,62+,63-,64-,65+,66-,67-,68+/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@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H124N2O28/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-48(78)70-41(42(77)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)39-89-65-57(86)54(83)60(46(37-74)93-65)95-67-58(87)55(84)61(47(38-75)94-67)96-68-59(88)63(52(81)45(36-73)92-68)98-64-49(69-40(3)76)62(51(80)44(35-72)90-64)97-66-56(85)53(82)50(79)43(34-71)91-66/h30,32,41-47,49-68,71-75,77,79-88H,4-29,31,33-39H2,1-3H3,(H,69,76)(H,70,78)/b32-30+/t41-,42+,43+,44+,45+,46+,47+,49+,50-,51-,52-,53-,54+,55+,56+,57+,58+,59+,60+,61-,62+,63-,64-,65+,66-,67-,68+/m0/s1 |
 |
| 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][CH2:29][CH2:31][CH2:33][C:48](=[N:70][C@@H:41]([CH2:39][O:89][C@H:65]1[C@H:57]([OH:86])[C@@H:54]([OH:83])[C@H:60]([O:95][C@H:67]2[C@H:58]([OH:87])[C@@H:55]([OH:84])[C@@H:61]([O:96][C@@H:68]3[C@H:59]([OH:88])[C@@H:63]([O:98][C@H:64]4[C@H:49]([N:69]=[C:40]([CH3:3])[OH:76])[C@@H:62]([O:97][C@H:66]5[C@H:56]([OH:85])[C@@H:53]([OH:82])[C@@H:50]([OH:79])[C@@H:43]([CH2:34][OH:71])[O:91]5)[C@@H:51]([OH:80])[C@@H:44]([CH2:35][OH:72])[O:90]4)[C@@H:52]([OH:81])[C@@H:45]([CH2:36][OH:73])[O:92]3)[C@@H:47]([CH2:38][OH:75])[O:94]2)[C@@H:46]([CH2:37][OH:74])[O:93]1)[C@@H:42](/[CH:32]=[CH:30]/[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:77])[OH:78] |
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