| Properties | Image |
|---|
| MNX_ID | MNXM28921 |
 |
| reference | glycosphingo:QZTFNMKPBFOEBG_QCXVRPADSA_N |
| formula | C74H133N3O33 |
| global charge | 0 |
| mol weight | 1592.866 |
| InChIKey | QZTFNMKPBFOEBG-QCXVRPADSA-N |
| InChI | InChI=1S/C74H133N3O33/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(85)42(77-50(86)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)38-99-71-62(96)59(93)66(47(36-81)104-71)108-73-63(97)60(94)67(48(37-82)105-73)109-74-64(98)68(55(89)45(34-79)102-74)110-70-51(75-40(3)83)56(90)54(88)49(106-70)39-100-69-52(76-41(4)84)57(91)65(46(35-80)103-69)107-72-61(95)58(92)53(87)44(33-78)101-72/h29,31,42-49,51-74,78-82,85,87-98H,5-28,30,32-39H2,1-4H3,(H,75,83)(H,76,84)(H,77,86)/b31-29+/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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H133N3O33/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(85)42(77-50(86)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)38-99-71-62(96)59(93)66(47(36-81)104-71)108-73-63(97)60(94)67(48(37-82)105-73)109-74-64(98)68(55(89)45(34-79)102-74)110-70-51(75-40(3)83)56(90)54(88)49(106-70)39-100-69-52(76-41(4)84)57(91)65(46(35-80)103-69)107-72-61(95)58(92)53(87)44(33-78)101-72/h29,31,42-49,51-74,78-82,85,87-98H,5-28,30,32-39H2,1-4H3,(H,75,83)(H,76,84)(H,77,86)/b31-29+/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 (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27]/[CH:29]=[CH:31]/[C@H:43]([C@H:42]([CH2:38][O:99][C@H:71]1[C@H:62]([OH:96])[C@@H:59]([OH:93])[C@H:66]([O:108][C@H:73]2[C@H:63]([OH:97])[C@@H:60]([OH:94])[C@@H:67]([O:109][C@@H:74]3[C@H:64]([OH:98])[C@@H:68]([O:110][C@H:70]4[C@H:51]([N:75]=[C:40]([CH3:3])[OH:83])[C@@H:56]([OH:90])[C@@H:54]([OH:88])[C@@H:49]([CH2:39][O:100][C@H:69]5[C@H:52]([N:76]=[C:41]([CH3:4])[OH:84])[C@@H:57]([OH:91])[C@H:65]([O:107][C@H:72]6[C@H:61]([OH:95])[C@@H:58]([OH:92])[C@@H:53]([OH:87])[C@@H:44]([CH2:33][OH:78])[O:101]6)[C@@H:46]([CH2:35][OH:80])[O:103]5)[O:106]4)[C@@H:55]([OH:89])[C@@H:45]([CH2:34][OH:79])[O:102]3)[C@@H:48]([CH2:37][OH:82])[O:105]2)[C@@H:47]([CH2:36][OH:81])[O:104]1)[N:77]=[C:50]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:86])[OH:85] |
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