| Properties | Image |
|---|
| MNX_ID | MNXM28084 |
 |
| reference | glycosphingo:LRAXVSDVFCWGCY_YWJYBOLZSA_N |
| formula | C70H127N3O28 |
| global charge | 0 |
| mol weight | 1458.779 |
| InChIKey | LRAXVSDVFCWGCY-YWJYBOLZSA-N |
| InChI | InChI=1S/C70H127N3O28/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(82)73-43(44(81)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-92-68-60(90)58(88)63(48(38-77)96-68)99-70-61(91)65(64(49(39-78)97-70)100-66-51(71-41(3)79)55(85)53(83)45(35-74)93-66)101-67-52(72-42(4)80)56(86)62(47(37-76)95-67)98-69-59(89)57(87)54(84)46(36-75)94-69/h31,33,43-49,51-70,74-78,81,83-91H,5-30,32,34-40H2,1-4H3,(H,71,79)(H,72,80)(H,73,82)/b33-31+/t43-,44+,45+,46+,47+,48+,49+,51+,52+,53-,54-,55+,56+,57-,58+,59+,60+,61+,62+,63+,64-,65+,66-,67-,68+,69-,70-/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]3NC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C70H127N3O28/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(82)73-43(44(81)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-92-68-60(90)58(88)63(48(38-77)96-68)99-70-61(91)65(64(49(39-78)97-70)100-66-51(71-41(3)79)55(85)53(83)45(35-74)93-66)101-67-52(72-42(4)80)56(86)62(47(37-76)95-67)98-69-59(89)57(87)54(84)46(36-75)94-69/h31,33,43-49,51-70,74-78,81,83-91H,5-30,32,34-40H2,1-4H3,(H,71,79)(H,72,80)(H,73,82)/b33-31+/t43-,44+,45+,46+,47+,48+,49+,51+,52+,53-,54-,55+,56+,57-,58+,59+,60+,61+,62+,63+,64-,65+,66-,67-,68+,69-,70-/m0/s1 |
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| 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:73][C@@H:43]([CH2:40][O:92][C@H:68]1[C@H:60]([OH:90])[C@@H:58]([OH:88])[C@H:63]([O:99][C@H:70]2[C@H:61]([OH:91])[C@@H:65]([O:101][C@H:67]3[C@H:52]([N:72]=[C:42]([CH3:4])[OH:80])[C@@H:56]([OH:86])[C@H:62]([O:98][C@H:69]4[C@H:59]([OH:89])[C@@H:57]([OH:87])[C@@H:54]([OH:84])[C@@H:46]([CH2:36][OH:75])[O:94]4)[C@@H:47]([CH2:37][OH:76])[O:95]3)[C@@H:64]([O:100][C@H:66]3[C@H:51]([N:71]=[C:41]([CH3:3])[OH:79])[C@@H:55]([OH:85])[C@@H:53]([OH:83])[C@@H:45]([CH2:35][OH:74])[O:93]3)[C@@H:49]([CH2:39][OH:78])[O:97]2)[C@@H:48]([CH2:38][OH:77])[O:96]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:81])[OH:82] |
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