| Properties | Image |
|---|
| MNX_ID | MNXM23885 |
 |
| reference | glycosphingo:OWTJZTIVGKHJJU_KDFYZFLUSA_N |
| formula | C64H118N2O23 |
| global charge | 0 |
| mol weight | 1283.639 |
| InChIKey | OWTJZTIVGKHJJU-KDFYZFLUSA-N |
| InChI | InChI=1S/C64H118N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-48(73)66-42(43(72)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)40-82-62-56(80)54(78)58(47(39-70)86-62)87-64-57(81)60(52(76)46(38-69)85-64)89-61-49(65-41(3)71)59(51(75)45(37-68)83-61)88-63-55(79)53(77)50(74)44(36-67)84-63/h32,34,42-47,49-64,67-70,72,74-81H,4-31,33,35-40H2,1-3H3,(H,65,71)(H,66,73)/b34-32+/t42-,43+,44+,45+,46+,47+,49+,50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,60-,61-,62+,63-,64-/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](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]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C64H118N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-48(73)66-42(43(72)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)40-82-62-56(80)54(78)58(47(39-70)86-62)87-64-57(81)60(52(76)46(38-69)85-64)89-61-49(65-41(3)71)59(51(75)45(37-68)83-61)88-63-55(79)53(77)50(74)44(36-67)84-63/h32,34,42-47,49-64,67-70,72,74-81H,4-31,33,35-40H2,1-3H3,(H,65,71)(H,66,73)/b34-32+/t42-,43+,44+,45+,46+,47+,49+,50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,60-,61-,62+,63-,64-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:48](=[N:66][C@@H:42]([CH2:40][O:82][C@H:62]1[C@H:56]([OH:80])[C@@H:54]([OH:78])[C@H:58]([O:87][C@H:64]2[C@H:57]([OH:81])[C@@H:60]([O:89][C@H:61]3[C@H:49]([N:65]=[C:41]([CH3:3])[OH:71])[C@@H:59]([O:88][C@H:63]4[C@H:55]([OH:79])[C@@H:53]([OH:77])[C@@H:50]([OH:74])[C@@H:44]([CH2:36][OH:67])[O:84]4)[C@H:51]([OH:75])[C@@H:45]([CH2:37][OH:68])[O:83]3)[C@@H:52]([OH:76])[C@@H:46]([CH2:38][OH:69])[O:85]2)[C@@H:47]([CH2:39][OH:70])[O:86]1)[C@@H:43](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:72])[OH:73] |
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