| Properties | Image |
|---|
| MNX_ID | MNXM525203 |
 |
| reference | slm:000485924 |
| formula | C109H182N5O47 |
| global charge | -3 |
| mol weight | 2314.643 |
| InChIKey | SRUDFCYUSHVRSL-ANVCDSLASA-K |
| InChI | InChI=1S/C109H185N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-78(132)114-66(67(125)49-47-45-43-41-39-37-20-18-16-14-12-10-8-2)60-148-101-89(139)88(138)92(75(58-119)151-101)154-103-91(141)99(161-109(106(146)147)53-70(128)81(112-64(5)123)97(159-109)85(135)73(131)56-117)93(76(59-120)152-103)155-100-82(113-65(6)124)94(87(137)77(153-100)61-149-107(104(142)143)51-68(126)79(110-62(3)121)95(157-107)83(133)71(129)54-115)156-102-90(140)98(86(136)74(57-118)150-102)160-108(105(144)145)52-69(127)80(111-63(4)122)96(158-108)84(134)72(130)55-116/h15,17,21-22,24-25,27-28,47,49,66-77,79-103,115-120,125-131,133-141H,7-14,16,18-20,23,26,29-46,48,50-61H2,1-6H3,(H,110,121)(H,111,122)(H,112,123)(H,113,124)(H,114,132)(H,142,143)(H,144,145)(H,146,147)/p-3/b17-15-,22-21-,25-24-,28-27-,49-47+/t66-,67+,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,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-,107+,108-,109-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=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]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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C109H185N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-78(132)114-66(67(125)49-47-45-43-41-39-37-20-18-16-14-12-10-8-2)60-148-101-89(139)88(138)92(75(58-119)151-101)154-103-91(141)99(161-109(106(146)147)53-70(128)81(112-64(5)123)97(159-109)85(135)73(131)56-117)93(76(59-120)152-103)155-100-82(113-65(6)124)94(87(137)77(153-100)61-149-107(104(142)143)51-68(126)79(110-62(3)121)95(157-107)83(133)71(129)54-115)156-102-90(140)98(86(136)74(57-118)150-102)160-108(105(144)145)52-69(127)80(111-63(4)122)96(158-108)84(134)72(130)55-116/h15,17,21-22,24-25,27-28,47,49,66-77,79-103,115-120,125-131,133-141H,7-14,16,18-20,23,26,29-46,48,50-61H2,1-6H3,(H,110,121)(H,111,122)(H,112,123)(H,113,124)(H,114,132)(H,142,143)(H,144,145)(H,146,147)/b17-15-,22-21-,25-24-,28-27-,49-47+/t66-,67+,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,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-,107+,108-,109-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:78](=[N:114][C@@H:66]([CH2:60][O:148][C@H:101]1[C@H:89]([OH:139])[C@@H:88]([OH:138])[C@H:92]([O:154][C@H:103]2[C@H:91]([OH:141])[C@@H:99]([O:161][C@:109]3([C:106](=[O:146])[OH:147])[CH2:53][C@H:70]([OH:128])[C@@H:81]([N:112]=[C:64]([CH3:5])[OH:123])[C@H:97]([C@@H:85]([C@@H:73]([CH2:56][OH:117])[OH:131])[OH:135])[O:159]3)[C@@H:93]([O:155][C@H:100]3[C@H:82]([N:113]=[C:65]([CH3:6])[OH:124])[C@@H:94]([O:156][C@H:102]4[C@H:90]([OH:140])[C@@H:98]([O:160][C@:108]5([C:105](=[O:144])[OH:145])[CH2:52][C@H:69]([OH:127])[C@@H:80]([N:111]=[C:63]([CH3:4])[OH:122])[C@H:96]([C@@H:84]([C@@H:72]([CH2:55][OH:116])[OH:130])[OH:134])[O:158]5)[C@@H:86]([OH:136])[C@@H:74]([CH2:57][OH:118])[O:150]4)[C@@H:87]([OH:137])[C@@H:77]([CH2:61][O:149][C@:107]4([C:104](=[O:142])[OH:143])[CH2:51][C@H:68]([OH:126])[C@@H:79]([N:110]=[C:62]([CH3:3])[OH:121])[C@H:95]([C@@H:83]([C@@H:71]([CH2:54][OH:115])[OH:129])[OH:133])[O:157]4)[O:153]3)[C@@H:76]([CH2:59][OH:120])[O:152]2)[C@@H:75]([CH2:58][OH:119])[O:151]1)[C@@H:67](/[CH:49]=[CH:47]/[CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:125])[OH:132] |
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