| Properties | Image |
|---|
| MNX_ID | MNXM25658 |
 |
| reference | glycosphingo:GSBLIDILRVXHOI_OYRLTAQASA_M |
| formula | C73H130N3O26 |
| global charge | -1 |
| mol weight | 1465.838 |
| InChIKey | GSBLIDILRVXHOI-OYRLTAQASA-M |
| InChI | InChI=1S/C73H131N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-56(85)76-49(50(82)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)45-95-70-64(91)62(89)67(53(43-78)97-70)101-71-65(92)63(90)66(54(44-79)98-71)100-69-58(75-48(4)81)61(88)60(87)55(99-69)46-96-73(72(93)94)41-51(83)57(74-47(3)80)68(102-73)59(86)52(84)42-77/h19-20,37,39,49-55,57-71,77-79,82-84,86-92H,5-18,21-36,38,40-46H2,1-4H3,(H,74,80)(H,75,81)(H,76,85)(H,93,94)/p-1/b20-19-,39-37+/t49-,50+,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66-,67+,68+,69-,70+,71-,73+/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=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@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C73H131N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-56(85)76-49(50(82)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)45-95-70-64(91)62(89)67(53(43-78)97-70)101-71-65(92)63(90)66(54(44-79)98-71)100-69-58(75-48(4)81)61(88)60(87)55(99-69)46-96-73(72(93)94)41-51(83)57(74-47(3)80)68(102-73)59(86)52(84)42-77/h19-20,37,39,49-55,57-71,77-79,82-84,86-92H,5-18,21-36,38,40-46H2,1-4H3,(H,74,80)(H,75,81)(H,76,85)(H,93,94)/b20-19-,39-37+/t49-,50+,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66-,67+,68+,69-,70+,71-,73+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:56](=[N:76][C@@H:49]([CH2:45][O:95][C@H:70]1[C@H:64]([OH:91])[C@@H:62]([OH:89])[C@H:67]([O:101][C@H:71]2[C@H:65]([OH:92])[C@@H:63]([OH:90])[C@@H:66]([O:100][C@H:69]3[C@H:58]([N:75]=[C:48]([CH3:4])[OH:81])[C@@H:61]([OH:88])[C@@H:60]([OH:87])[C@@H:55]([CH2:46][O:96][C@:73]4([C:72](=[O:93])[OH:94])[CH2:41][C@H:51]([OH:83])[C@@H:57]([N:74]=[C:47]([CH3:3])[OH:80])[C@H:68]([C@@H:59]([C@@H:52]([CH2:42][OH:77])[OH:84])[OH:86])[O:102]4)[O:99]3)[C@@H:54]([CH2:44][OH:79])[O:98]2)[C@@H:53]([CH2:43][OH:78])[O:97]1)[C@@H:50](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:82])[OH:85] |
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