| Properties | Image |
|---|
| MNX_ID | MNXM525469 |
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| reference | slm:000487770 |
| formula | C109H182N5O42 |
| global charge | -3 |
| mol weight | 2234.648 |
| InChIKey | OIMZXJBTLKKGCT-PQLSHQOSSA-K |
| InChI | InChI=1S/C109H185N5O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-82(130)114-71(72(125)55-53-51-49-47-45-43-20-18-16-14-12-10-8-2)66-145-102-93(137)92(136)95(80(64-119)147-102)149-103-94(138)100(96(81(65-120)148-103)150-101-86(113-70(6)124)91(135)88(132)77(61-116)146-101)156-109(106(143)144)59-75(128)85(112-69(5)123)99(155-109)90(134)79(63-118)152-108(105(141)142)58-74(127)84(111-68(4)122)98(154-108)89(133)78(62-117)151-107(104(139)140)57-73(126)83(110-67(3)121)97(153-107)87(131)76(129)60-115/h9,11,15,17,21-22,24-25,27-28,53,55,71-81,83-103,115-120,125-129,131-138H,7-8,10,12-14,16,18-20,23,26,29-52,54,56-66H2,1-6H3,(H,110,121)(H,111,122)(H,112,123)(H,113,124)(H,114,130)(H,139,140)(H,141,142)(H,143,144)/p-3/b11-9-,17-15-,22-21-,25-24-,28-27-,55-53+/t71-,72+,73-,74-,75-,76+,77+,78+,79+,80+,81+,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 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=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@H](O)[C@H](O)[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)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C109H185N5O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-82(130)114-71(72(125)55-53-51-49-47-45-43-20-18-16-14-12-10-8-2)66-145-102-93(137)92(136)95(80(64-119)147-102)149-103-94(138)100(96(81(65-120)148-103)150-101-86(113-70(6)124)91(135)88(132)77(61-116)146-101)156-109(106(143)144)59-75(128)85(112-69(5)123)99(155-109)90(134)79(63-118)152-108(105(141)142)58-74(127)84(111-68(4)122)98(154-108)89(133)78(62-117)151-107(104(139)140)57-73(126)83(110-67(3)121)97(153-107)87(131)76(129)60-115/h9,11,15,17,21-22,24-25,27-28,53,55,71-81,83-103,115-120,125-129,131-138H,7-8,10,12-14,16,18-20,23,26,29-52,54,56-66H2,1-6H3,(H,110,121)(H,111,122)(H,112,123)(H,113,124)(H,114,130)(H,139,140)(H,141,142)(H,143,144)/b11-9-,17-15-,22-21-,25-24-,28-27-,55-53+/t71-,72+,73-,74-,75-,76+,77+,78+,79+,80+,81+,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]/[CH:9]=[CH: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][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][C:82](=[N:114][C@@H:71]([CH2:66][O:145][C@H:102]1[C@H:93]([OH:137])[C@@H:92]([OH:136])[C@H:95]([O:149][C@H:103]2[C@H:94]([OH:138])[C@@H:100]([O:156][C@:109]3([C:106](=[O:143])[OH:144])[CH2:59][C@H:75]([OH:128])[C@@H:85]([N:112]=[C:69]([CH3:5])[OH:123])[C@H:99]([C@@H:90]([C@@H:79]([CH2:63][OH:118])[O:152][C@:108]4([C:105](=[O:141])[OH:142])[CH2:58][C@H:74]([OH:127])[C@@H:84]([N:111]=[C:68]([CH3:4])[OH:122])[C@H:98]([C@@H:89]([C@@H:78]([CH2:62][OH:117])[O:151][C@:107]5([C:104](=[O:139])[OH:140])[CH2:57][C@H:73]([OH:126])[C@@H:83]([N:110]=[C:67]([CH3:3])[OH:121])[C@H:97]([C@@H:87]([C@@H:76]([CH2:60][OH:115])[OH:129])[OH:131])[O:153]5)[OH:133])[O:154]4)[OH:134])[O:155]3)[C@@H:96]([O:150][C@H:101]3[C@H:86]([N:113]=[C:70]([CH3:6])[OH:124])[C@@H:91]([OH:135])[C@@H:88]([OH:132])[C@@H:77]([CH2:61][OH:116])[O:146]3)[C@@H:81]([CH2:65][OH:120])[O:148]2)[C@@H:80]([CH2:64][OH:119])[O:147]1)[C@@H:72](/[CH:55]=[CH:53]/[CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:125])[OH:130] |
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