| Properties | Image |
|---|
| MNX_ID | MNXM1102871 |
 |
| reference | glycosphingo:NINMMASVOLIHCN_FUWYUXLLSA_N |
| formula | C70H128N2O28 |
| global charge | 0 |
| mol weight | 1445.78 |
| InChIKey | NINMMASVOLIHCN-FUWYUXLLSA-N |
| InChI | InChI=1S/C70H128N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-50(80)72-43(44(79)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-91-67-59(88)57(86)63(49(40-77)96-67)98-70-60(89)64(53(82)46(37-74)94-70)99-66-51(71-42(3)78)55(84)62(48(39-76)95-66)97-69-61(90)65(54(83)47(38-75)93-69)100-68-58(87)56(85)52(81)45(36-73)92-68/h32,34,43-49,51-70,73-77,79,81-90H,4-31,33,35-41H2,1-3H3,(H,71,78)(H,72,80)/b34-32+/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](O[C@@H]3O[C@H](CO)[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]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C70H128N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-50(80)72-43(44(79)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2)41-91-67-59(88)57(86)63(49(40-77)96-67)98-70-60(89)64(53(82)46(37-74)94-70)99-66-51(71-42(3)78)55(84)62(48(39-76)95-66)97-69-61(90)65(54(83)47(38-75)93-69)100-68-58(87)56(85)52(81)45(36-73)92-68/h32,34,43-49,51-70,73-77,79,81-90H,4-31,33,35-41H2,1-3H3,(H,71,78)(H,72,80)/b34-32+/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][CH2:4][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:50](=[N:72][C@@H:43]([CH2:41][O:91][C@H:67]1[C@H:59]([OH:88])[C@@H:57]([OH:86])[C@H:63]([O:98][C@H:70]2[C@H:60]([OH:89])[C@@H:64]([O:99][C@H:66]3[C@H:51]([N:71]=[C:42]([CH3:3])[OH:78])[C@@H:55]([OH:84])[C@H:62]([O:97][C@H:69]4[C@H:61]([OH:90])[C@@H:65]([O:100][C@H:68]5[C@H:58]([OH:87])[C@@H:56]([OH:85])[C@@H:52]([OH:81])[C@@H:45]([CH2:36][OH:73])[O:92]5)[C@@H:54]([OH:83])[C@@H:47]([CH2:38][OH:75])[O:93]4)[C@@H:48]([CH2:39][OH:76])[O:95]3)[C@@H:53]([OH:82])[C@@H:46]([CH2:37][OH:74])[O:94]2)[C@@H:49]([CH2:40][OH:77])[O:96]1)[C@@H:44](/[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:79])[OH:80] |
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