| Properties | Image |
|---|
| MNX_ID | MNXM29868 |
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| reference | glycosphingo:OKILNEREDDNQMI_SSJJTQMTSA_N |
| formula | C74H134N2O33 |
| global charge | 0 |
| mol weight | 1579.867 |
| InChIKey | OKILNEREDDNQMI-SSJJTQMTSA-N |
| InChI | InChI=1S/C74H134N2O33/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-50(85)76-42(43(84)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)40-98-70-59(93)57(91)64(48(38-81)103-70)105-71-60(94)58(92)65(49(39-82)104-71)106-72-62(96)67(54(88)46(36-79)100-72)108-74-63(97)68(55(89)47(37-80)102-74)109-73-61(95)66(53(87)45(35-78)101-73)107-69-51(75-41(3)83)56(90)52(86)44(34-77)99-69/h30,32,42-49,51-74,77-82,84,86-97H,4-29,31,33-40H2,1-3H3,(H,75,83)(H,76,85)/b32-30+/t42-,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 | 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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H134N2O33/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-50(85)76-42(43(84)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)40-98-70-59(93)57(91)64(48(38-81)103-70)105-71-60(94)58(92)65(49(39-82)104-71)106-72-62(96)67(54(88)46(36-79)100-72)108-74-63(97)68(55(89)47(37-80)102-74)109-73-61(95)66(53(87)45(35-78)101-73)107-69-51(75-41(3)83)56(90)52(86)44(34-77)99-69/h30,32,42-49,51-74,77-82,84,86-97H,4-29,31,33-40H2,1-3H3,(H,75,83)(H,76,85)/b32-30+/t42-,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][CH2:4][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:50](=[N:76][C@@H:42]([CH2:40][O:98][C@H:70]1[C@H:59]([OH:93])[C@@H:57]([OH:91])[C@H:64]([O:105][C@H:71]2[C@H:60]([OH:94])[C@@H:58]([OH:92])[C@@H:65]([O:106][C@@H:72]3[C@H:62]([OH:96])[C@@H:67]([O:108][C@@H:74]4[C@H:63]([OH:97])[C@@H:68]([O:109][C@@H:73]5[C@H:61]([OH:95])[C@@H:66]([O:107][C@H:69]6[C@H:51]([N:75]=[C:41]([CH3:3])[OH:83])[C@@H:56]([OH:90])[C@@H:52]([OH:86])[C@@H:44]([CH2:34][OH:77])[O:99]6)[C@@H:53]([OH:87])[C@@H:45]([CH2:35][OH:78])[O:101]5)[C@@H:55]([OH:89])[C@@H:47]([CH2:37][OH:80])[O:102]4)[C@@H:54]([OH:88])[C@@H:46]([CH2:36][OH:79])[O:100]3)[C@@H:49]([CH2:39][OH:82])[O:104]2)[C@@H:48]([CH2:38][OH:81])[O:103]1)[C@@H:43](/[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:84])[OH:85] |
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