| Properties | Image |
|---|
| MNX_ID | MNXM1066302 |
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| reference | glycosphingo:CFNHTBGCJOLGMB_IEIPZENTSA_N |
| formula | C74H128N2O32 |
| global charge | 0 |
| mol weight | 1557.82 |
| InChIKey | CFNHTBGCJOLGMB-IEIPZENTSA-N |
| InChI | InChI=1S/C74H128N2O32/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(84)76-43(44(83)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-97-70-62(95)58(91)65(48(38-80)102-70)105-73-63(96)59(92)64(49(39-81)103-73)104-69-51(75-42(4)82)66(54(87)46(36-78)99-69)106-74-68(108-71-60(93)56(89)52(85)41(3)98-71)67(55(88)47(37-79)101-74)107-72-61(94)57(90)53(86)45(35-77)100-72/h7,9,13,15,19-20,24,26,41,43-49,51-74,77-81,83,85-96H,5-6,8,10-12,14,16-18,21-23,25,27-40H2,1-4H3,(H,75,82)(H,76,84)/b9-7-,15-13-,20-19-,26-24-/t41-,43-,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+,71-,72+,73-,74-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)N[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]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H128N2O32/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(84)76-43(44(83)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-97-70-62(95)58(91)65(48(38-80)102-70)105-73-63(96)59(92)64(49(39-81)103-73)104-69-51(75-42(4)82)66(54(87)46(36-78)99-69)106-74-68(108-71-60(93)56(89)52(85)41(3)98-71)67(55(88)47(37-79)101-74)107-72-61(94)57(90)53(86)45(35-77)100-72/h7,9,13,15,19-20,24,26,41,43-49,51-74,77-81,83,85-96H,5-6,8,10-12,14,16-18,21-23,25,27-40H2,1-4H3,(H,75,82)(H,76,84)/b9-7-,15-13-,20-19-,26-24-/t41-,43-,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+,71-,72+,73-,74-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:32][CH2:34][C:50](=[N:76][C@@H:43]([CH2:40][O:97][C@H:70]1[C@H:62]([OH:95])[C@@H:58]([OH:91])[C@H:65]([O:105][C@H:73]2[C@H:63]([OH:96])[C@@H:59]([OH:92])[C@@H:64]([O:104][C@H:69]3[C@H:51]([N:75]=[C:42]([CH3:4])[OH:82])[C@@H:66]([O:106][C@H:74]4[C@H:68]([O:108][C@H:71]5[C@@H:60]([OH:93])[C@H:56]([OH:89])[C@H:52]([OH:85])[C@H:41]([CH3:3])[O:98]5)[C@@H:67]([O:107][C@@H:72]5[C@H:61]([OH:94])[C@@H:57]([OH:90])[C@@H:53]([OH:86])[C@@H:45]([CH2:35][OH:77])[O:100]5)[C@@H:55]([OH:88])[C@@H:47]([CH2:37][OH:79])[O:101]4)[C@@H:54]([OH:87])[C@@H:46]([CH2:36][OH:78])[O:99]3)[C@@H:49]([CH2:39][OH:81])[O:103]2)[C@@H:48]([CH2:38][OH:80])[O:102]1)[C@@H:44]([CH2:33][CH2:31][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:83])[OH:84] |
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