| Properties | Image |
|---|
| MNX_ID | MNXM25296 |
 |
| reference | glycosphingo:JSQCVOSAZXDWBD_YSHOEXNGSA_N |
| formula | C72H131N3O28 |
| global charge | 0 |
| mol weight | 1486.833 |
| InChIKey | JSQCVOSAZXDWBD-YSHOEXNGSA-N |
| InChI | InChI=1S/C72H131N3O28/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-52(84)75-45(46(83)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-94-70-61(91)59(89)65(50(40-79)98-70)101-71-62(92)60(90)64(51(41-80)99-71)100-69-54(74-44(4)82)66(56(86)48(38-77)96-69)102-72-63(93)67(57(87)49(39-78)97-72)103-68-53(73-43(3)81)58(88)55(85)47(37-76)95-68/h33,35,45-51,53-72,76-80,83,85-93H,5-32,34,36-42H2,1-4H3,(H,73,81)(H,74,82)(H,75,84)/b35-33+/t45-,46+,47+,48+,49+,50+,51+,53+,54+,55+,56-,57-,58+,59+,60+,61+,62+,63+,64-,65+,66+,67-,68-,69-,70+,71-,72-/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]5NC(C)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C72H131N3O28/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-52(84)75-45(46(83)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-94-70-61(91)59(89)65(50(40-79)98-70)101-71-62(92)60(90)64(51(41-80)99-71)100-69-54(74-44(4)82)66(56(86)48(38-77)96-69)102-72-63(93)67(57(87)49(39-78)97-72)103-68-53(73-43(3)81)58(88)55(85)47(37-76)95-68/h33,35,45-51,53-72,76-80,83,85-93H,5-32,34,36-42H2,1-4H3,(H,73,81)(H,74,82)(H,75,84)/b35-33+/t45-,46+,47+,48+,49+,50+,51+,53+,54+,55+,56-,57-,58+,59+,60+,61+,62+,63+,64-,65+,66+,67-,68-,69-,70+,71-,72-/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][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:52](=[N:75][C@@H:45]([CH2:42][O:94][C@H:70]1[C@H:61]([OH:91])[C@@H:59]([OH:89])[C@H:65]([O:101][C@H:71]2[C@H:62]([OH:92])[C@@H:60]([OH:90])[C@@H:64]([O:100][C@H:69]3[C@H:54]([N:74]=[C:44]([CH3:4])[OH:82])[C@@H:66]([O:102][C@H:72]4[C@H:63]([OH:93])[C@@H:67]([O:103][C@H:68]5[C@H:53]([N:73]=[C:43]([CH3:3])[OH:81])[C@@H:58]([OH:88])[C@H:55]([OH:85])[C@@H:47]([CH2:37][OH:76])[O:95]5)[C@@H:57]([OH:87])[C@@H:49]([CH2:39][OH:78])[O:97]4)[C@@H:56]([OH:86])[C@@H:48]([CH2:38][OH:77])[O:96]3)[C@@H:51]([CH2:41][OH:80])[O:99]2)[C@@H:50]([CH2:40][OH:79])[O:98]1)[C@@H:46](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:83])[OH:84] |
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