| Properties | Image |
|---|
| MNX_ID | MNXM1102456 |
 |
| reference | glycosphingo:OBQWPWBDUBYLGY_OOLPGSRSSA_M |
| formula | C75H134N3O31 |
| global charge | -1 |
| mol weight | 1573.887 |
| InChIKey | OBQWPWBDUBYLGY-OOLPGSRSSA-M |
| InChI | InChI=1S/C75H135N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(89)78-46(47(86)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-100-71-63(96)61(94)65(52(41-82)103-71)105-73-64(97)69(109-75(74(98)99)37-48(87)55(76-44(3)84)68(108-75)57(90)49(88)38-79)66(53(42-83)104-73)106-70-56(77-45(4)85)67(59(92)51(40-81)101-70)107-72-62(95)60(93)58(91)50(39-80)102-72/h33,35,46-53,55-73,79-83,86-88,90-97H,5-32,34,36-43H2,1-4H3,(H,76,84)(H,77,85)(H,78,89)(H,98,99)/p-1/b35-33+/t46-,47+,48-,49+,50+,51+,52+,53+,55+,56+,57+,58-,59-,60-,61+,62+,63+,64+,65+,66-,67+,68+,69+,70-,71+,72-,73-,75-/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]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C75H135N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(89)78-46(47(86)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-100-71-63(96)61(94)65(52(41-82)103-71)105-73-64(97)69(109-75(74(98)99)37-48(87)55(76-44(3)84)68(108-75)57(90)49(88)38-79)66(53(42-83)104-73)106-70-56(77-45(4)85)67(59(92)51(40-81)101-70)107-72-62(95)60(93)58(91)50(39-80)102-72/h33,35,46-53,55-73,79-83,86-88,90-97H,5-32,34,36-43H2,1-4H3,(H,76,84)(H,77,85)(H,78,89)(H,98,99)/b35-33+/t46-,47+,48-,49+,50+,51+,52+,53+,55+,56+,57+,58-,59-,60-,61+,62+,63+,64+,65+,66-,67+,68+,69+,70-,71+,72-,73-,75-/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:54](=[N:78][C@@H:46]([CH2:43][O:100][C@H:71]1[C@H:63]([OH:96])[C@@H:61]([OH:94])[C@H:65]([O:105][C@H:73]2[C@H:64]([OH:97])[C@@H:69]([O:109][C@:75]3([C:74](=[O:98])[OH:99])[CH2:37][C@H:48]([OH:87])[C@@H:55]([N:76]=[C:44]([CH3:3])[OH:84])[C@H:68]([C@@H:57]([C@@H:49]([CH2:38][OH:79])[OH:88])[OH:90])[O:108]3)[C@@H:66]([O:106][C@H:70]3[C@H:56]([N:77]=[C:45]([CH3:4])[OH:85])[C@@H:67]([O:107][C@H:72]4[C@H:62]([OH:95])[C@@H:60]([OH:93])[C@@H:58]([OH:91])[C@@H:50]([CH2:39][OH:80])[O:102]4)[C@@H:59]([OH:92])[C@@H:51]([CH2:40][OH:81])[O:101]3)[C@@H:53]([CH2:42][OH:83])[O:104]2)[C@@H:52]([CH2:41][OH:82])[O:103]1)[C@@H:47](/[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:86])[OH:89] |
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