| Properties | Image |
|---|
| MNX_ID | MNXM524541 |
 |
| reference | slm:000486138 |
| formula | C112H184N7O63 |
| global charge | -5 |
| mol weight | 2636.69 |
| InChIKey | YOBPSKDGLUBARQ-LWZLRTTCSA-I |
| InChI | InChI=1S/C112H189N7O63/c1-10-11-12-13-14-15-16-17-18-19-22-25-28-31-56(134)55(119-71(143)32-29-26-23-20-21-24-27-30-48(2)3)46-165-100-86(152)85(151)89(68(44-126)168-100)171-102-88(154)98(182-112(107(163)164)37-61(139)76(117-53(8)132)96(180-112)83(149)67(43-125)175-110(105(159)160)35-59(137)75(116-52(7)131)95(179-110)82(148)66(42-124)174-109(104(157)158)34-58(136)73(114-50(5)129)93(177-109)79(145)63(141)39-121)90(69(45-127)169-102)172-99-77(118-54(9)133)91(84(150)70(170-99)47-166-108(103(155)156)33-57(135)72(113-49(4)128)92(176-108)78(144)62(140)38-120)173-101-87(153)97(81(147)65(41-123)167-101)181-111(106(161)162)36-60(138)74(115-51(6)130)94(178-111)80(146)64(142)40-122/h28,31,48,55-70,72-102,120-127,134-142,144-154H,10-27,29-30,32-47H2,1-9H3,(H,113,128)(H,114,129)(H,115,130)(H,116,131)(H,117,132)(H,118,133)(H,119,143)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,163,164)/p-5/b31-28+/t55-,56+,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81-,82+,83+,84-,85+,86+,87+,88+,89+,90-,91+,92+,93+,94+,95+,96+,97-,98+,99-,100+,101-,102-,108+,109+,110+,111-,112-/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@]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]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[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](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C112H189N7O63/c1-10-11-12-13-14-15-16-17-18-19-22-25-28-31-56(134)55(119-71(143)32-29-26-23-20-21-24-27-30-48(2)3)46-165-100-86(152)85(151)89(68(44-126)168-100)171-102-88(154)98(182-112(107(163)164)37-61(139)76(117-53(8)132)96(180-112)83(149)67(43-125)175-110(105(159)160)35-59(137)75(116-52(7)131)95(179-110)82(148)66(42-124)174-109(104(157)158)34-58(136)73(114-50(5)129)93(177-109)79(145)63(141)39-121)90(69(45-127)169-102)172-99-77(118-54(9)133)91(84(150)70(170-99)47-166-108(103(155)156)33-57(135)72(113-49(4)128)92(176-108)78(144)62(140)38-120)173-101-87(153)97(81(147)65(41-123)167-101)181-111(106(161)162)36-60(138)74(115-51(6)130)94(178-111)80(146)64(142)40-122/h28,31,48,55-70,72-102,120-127,134-142,144-154H,10-27,29-30,32-47H2,1-9H3,(H,113,128)(H,114,129)(H,115,130)(H,116,131)(H,117,132)(H,118,133)(H,119,143)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,163,164)/b31-28+/t55-,56+,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81-,82+,83+,84-,85+,86+,87+,88+,89+,90-,91+,92+,93+,94+,95+,96+,97-,98+,99-,100+,101-,102-,108+,109+,110+,111-,112-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:25]/[CH:28]=[CH:31]/[C@H:56]([C@H:55]([CH2:46][O:165][C@H:100]1[C@H:86]([OH:152])[C@@H:85]([OH:151])[C@H:89]([O:171][C@H:102]2[C@H:88]([OH:154])[C@@H:98]([O:182][C@:112]3([C:107](=[O:163])[OH:164])[CH2:37][C@H:61]([OH:139])[C@@H:76]([N:117]=[C:53]([CH3:8])[OH:132])[C@H:96]([C@@H:83]([C@@H:67]([CH2:43][OH:125])[O:175][C@:110]4([C:105](=[O:159])[OH:160])[CH2:35][C@H:59]([OH:137])[C@@H:75]([N:116]=[C:52]([CH3:7])[OH:131])[C@H:95]([C@@H:82]([C@@H:66]([CH2:42][OH:124])[O:174][C@:109]5([C:104](=[O:157])[OH:158])[CH2:34][C@H:58]([OH:136])[C@@H:73]([N:114]=[C:50]([CH3:5])[OH:129])[C@H:93]([C@@H:79]([C@@H:63]([CH2:39][OH:121])[OH:141])[OH:145])[O:177]5)[OH:148])[O:179]4)[OH:149])[O:180]3)[C@@H:90]([O:172][C@H:99]3[C@H:77]([N:118]=[C:54]([CH3:9])[OH:133])[C@@H:91]([O:173][C@H:101]4[C@H:87]([OH:153])[C@@H:97]([O:181][C@:111]5([C:106](=[O:161])[OH:162])[CH2:36][C@H:60]([OH:138])[C@@H:74]([N:115]=[C:51]([CH3:6])[OH:130])[C@H:94]([C@@H:80]([C@@H:64]([CH2:40][OH:122])[OH:142])[OH:146])[O:178]5)[C@@H:81]([OH:147])[C@@H:65]([CH2:41][OH:123])[O:167]4)[C@@H:84]([OH:150])[C@@H:70]([CH2:47][O:166][C@:108]4([C:103](=[O:155])[OH:156])[CH2:33][C@H:57]([OH:135])[C@@H:72]([N:113]=[C:49]([CH3:4])[OH:128])[C@H:92]([C@@H:78]([C@@H:62]([CH2:38][OH:120])[OH:140])[OH:144])[O:176]4)[O:170]3)[C@@H:69]([CH2:45][OH:127])[O:169]2)[C@@H:68]([CH2:44][OH:126])[O:168]1)[N:119]=[C:71]([CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:21][CH2:24][CH2:27][CH2:30][CH:48]([CH3:2])[CH3:3])[OH:143])[OH:134] |
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