| Properties | Image |
|---|
| MNX_ID | MNXM1061733 |
 |
| reference | slm:000754345 |
| formula | C59H109N2O27S |
| global charge | -1 |
| mol weight | 1310.575 |
| InChIKey | LEMLZBVRUYSUSF-NGYWXMTDSA-M |
| InChI | InChI=1S/C59H110N2O27S/c1-5-6-7-8-9-10-11-12-15-18-21-24-27-37(67)44(69)36(61-42(68)28-25-22-19-16-13-14-17-20-23-26-34(2)3)33-80-57-49(74)47(72)52(40(31-64)83-57)85-58-50(75)48(73)53(41(32-65)84-58)86-59-51(76)55(46(71)39(30-63)82-59)87-56-43(60-35(4)66)54(88-89(77,78)79)45(70)38(29-62)81-56/h34,36-41,43-59,62-65,67,69-76H,5-33H2,1-4H3,(H,60,66)(H,61,68)(H,77,78,79)/p-1/t36-,37+,38+,39+,40+,41+,43+,44-,45-,46-,47+,48+,49+,50+,51+,52+,53-,54+,55-,56-,57+,58-,59+/m0/s1 |
| SMILES | CCCCCCCCCCCCCC[C@@H](O)[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](OS(=O)(=O)[O-])[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C59H110N2O27S/c1-5-6-7-8-9-10-11-12-15-18-21-24-27-37(67)44(69)36(61-42(68)28-25-22-19-16-13-14-17-20-23-26-34(2)3)33-80-57-49(74)47(72)52(40(31-64)83-57)85-58-50(75)48(73)53(41(32-65)84-58)86-59-51(76)55(46(71)39(30-63)82-59)87-56-43(60-35(4)66)54(88-89(77,78)79)45(70)38(29-62)81-56/h34,36-41,43-59,62-65,67,69-76H,5-33H2,1-4H3,(H,60,66)(H,61,68)(H,77,78,79)/t36-,37+,38+,39+,40+,41+,43+,44-,45-,46-,47+,48+,49+,50+,51+,52+,53-,54+,55-,56-,57+,58-,59+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][C@H:37]([C@H:44]([C@H:36]([CH2:33][O:80][C@H:57]1[C@H:49]([OH:74])[C@@H:47]([OH:72])[C@H:52]([O:85][C@H:58]2[C@H:50]([OH:75])[C@@H:48]([OH:73])[C@@H:53]([O:86][C@@H:59]3[C@H:51]([OH:76])[C@@H:55]([O:87][C@H:56]4[C@H:43]([N:60]=[C:35]([CH3:4])[OH:66])[C@@H:54]([O:88][S:89]([OH:77])(=[O:78])=[O:79])[C@@H:45]([OH:70])[C@@H:38]([CH2:29][OH:62])[O:81]4)[C@@H:46]([OH:71])[C@@H:39]([CH2:30][OH:63])[O:82]3)[C@@H:41]([CH2:32][OH:65])[O:84]2)[C@@H:40]([CH2:31][OH:64])[O:83]1)[N:61]=[C:42]([CH2:28][CH2:25][CH2:22][CH2:19][CH2:16][CH2:13][CH2:14][CH2:17][CH2:20][CH2:23][CH2:26][CH:34]([CH3:2])[CH3:3])[OH:68])[OH:69])[OH:67] |
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