| Properties | Image |
|---|
| MNX_ID | MNXM524795 |
 |
| reference | slm:000486066 |
| formula | C111H188N6O55 |
| global charge | -4 |
| mol weight | 2486.712 |
| InChIKey | YADBYWYCWCAZML-CNVRUPLDSA-J |
| InChI | InChI=1S/C111H192N6O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-75(138)117-61(62(130)41-39-37-35-33-31-29-21-19-17-15-13-11-9-2)54-157-101-88(146)87(145)91(72(52-123)160-101)163-103-90(148)99(172-111(107(155)156)46-66(134)79(115-59(6)128)97(170-111)85(143)71(51-122)166-109(105(151)152)44-64(132)77(113-57(4)126)95(168-109)82(140)68(136)48-119)92(73(53-124)161-103)164-100-80(116-60(7)129)93(86(144)74(162-100)55-158-108(104(149)150)43-63(131)76(112-56(3)125)94(167-108)81(139)67(135)47-118)165-102-89(147)98(84(142)70(50-121)159-102)171-110(106(153)154)45-65(133)78(114-58(5)127)96(169-110)83(141)69(137)49-120/h39,41,61-74,76-103,118-124,130-137,139-148H,8-38,40,42-55H2,1-7H3,(H,112,125)(H,113,126)(H,114,127)(H,115,128)(H,116,129)(H,117,138)(H,149,150)(H,151,152)(H,153,154)(H,155,156)/p-4/b41-39+/t61-,62+,63-,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,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-,103-,108+,109+,110-,111-/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](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C111H192N6O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-75(138)117-61(62(130)41-39-37-35-33-31-29-21-19-17-15-13-11-9-2)54-157-101-88(146)87(145)91(72(52-123)160-101)163-103-90(148)99(172-111(107(155)156)46-66(134)79(115-59(6)128)97(170-111)85(143)71(51-122)166-109(105(151)152)44-64(132)77(113-57(4)126)95(168-109)82(140)68(136)48-119)92(73(53-124)161-103)164-100-80(116-60(7)129)93(86(144)74(162-100)55-158-108(104(149)150)43-63(131)76(112-56(3)125)94(167-108)81(139)67(135)47-118)165-102-89(147)98(84(142)70(50-121)159-102)171-110(106(153)154)45-65(133)78(114-58(5)127)96(169-110)83(141)69(137)49-120/h39,41,61-74,76-103,118-124,130-137,139-148H,8-38,40,42-55H2,1-7H3,(H,112,125)(H,113,126)(H,114,127)(H,115,128)(H,116,129)(H,117,138)(H,149,150)(H,151,152)(H,153,154)(H,155,156)/b41-39+/t61-,62+,63-,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,74+,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-,103-,108+,109+,110-,111-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:75](=[N:117][C@@H:61]([CH2:54][O:157][C@H:101]1[C@H:88]([OH:146])[C@@H:87]([OH:145])[C@H:91]([O:163][C@H:103]2[C@H:90]([OH:148])[C@@H:99]([O:172][C@:111]3([C:107](=[O:155])[OH:156])[CH2:46][C@H:66]([OH:134])[C@@H:79]([N:115]=[C:59]([CH3:6])[OH:128])[C@H:97]([C@@H:85]([C@@H:71]([CH2:51][OH:122])[O:166][C@:109]4([C:105](=[O:151])[OH:152])[CH2:44][C@H:64]([OH:132])[C@@H:77]([N:113]=[C:57]([CH3:4])[OH:126])[C@H:95]([C@@H:82]([C@@H:68]([CH2:48][OH:119])[OH:136])[OH:140])[O:168]4)[OH:143])[O:170]3)[C@@H:92]([O:164][C@H:100]3[C@H:80]([N:116]=[C:60]([CH3:7])[OH:129])[C@@H:93]([O:165][C@H:102]4[C@H:89]([OH:147])[C@@H:98]([O:171][C@:110]5([C:106](=[O:153])[OH:154])[CH2:45][C@H:65]([OH:133])[C@@H:78]([N:114]=[C:58]([CH3:5])[OH:127])[C@H:96]([C@@H:83]([C@@H:69]([CH2:49][OH:120])[OH:137])[OH:141])[O:169]5)[C@@H:84]([OH:142])[C@@H:70]([CH2:50][OH:121])[O:159]4)[C@@H:86]([OH:144])[C@@H:74]([CH2:55][O:158][C@:108]4([C:104](=[O:149])[OH:150])[CH2:43][C@H:63]([OH:131])[C@@H:76]([N:112]=[C:56]([CH3:3])[OH:125])[C@H:94]([C@@H:81]([C@@H:67]([CH2:47][OH:118])[OH:135])[OH:139])[O:167]4)[O:162]3)[C@@H:73]([CH2:53][OH:124])[O:161]2)[C@@H:72]([CH2:52][OH:123])[O:160]1)[C@@H:62](/[CH:41]=[CH:39]/[CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH3:2])[OH:130])[OH:138] |
|