| Properties | Image |
|---|
| MNX_ID | MNXM525192 |
 |
| reference | slm:000485972 |
| formula | C105H182N5O47 |
| global charge | -3 |
| mol weight | 2266.599 |
| InChIKey | VRNVCDKHPLFNLM-PPHUOUFMSA-K |
| InChI | InChI=1S/C105H185N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-74(128)110-62(63(121)45-43-41-39-37-35-33-20-18-16-14-12-10-8-2)56-144-97-85(135)84(134)88(71(54-115)147-97)150-99-87(137)95(157-105(102(142)143)49-66(124)77(108-60(5)119)93(155-105)81(131)69(127)52-113)89(72(55-116)148-99)151-96-78(109-61(6)120)90(83(133)73(149-96)57-145-103(100(138)139)47-64(122)75(106-58(3)117)91(153-103)79(129)67(125)50-111)152-98-86(136)94(82(132)70(53-114)146-98)156-104(101(140)141)48-65(123)76(107-59(4)118)92(154-104)80(130)68(126)51-112/h43,45,62-73,75-99,111-116,121-127,129-137H,7-42,44,46-57H2,1-6H3,(H,106,117)(H,107,118)(H,108,119)(H,109,120)(H,110,128)(H,138,139)(H,140,141)(H,142,143)/p-3/b45-43+/t62-,63+,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,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-,103+,104-,105-/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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C105H185N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-74(128)110-62(63(121)45-43-41-39-37-35-33-20-18-16-14-12-10-8-2)56-144-97-85(135)84(134)88(71(54-115)147-97)150-99-87(137)95(157-105(102(142)143)49-66(124)77(108-60(5)119)93(155-105)81(131)69(127)52-113)89(72(55-116)148-99)151-96-78(109-61(6)120)90(83(133)73(149-96)57-145-103(100(138)139)47-64(122)75(106-58(3)117)91(153-103)79(129)67(125)50-111)152-98-86(136)94(82(132)70(53-114)146-98)156-104(101(140)141)48-65(123)76(107-59(4)118)92(154-104)80(130)68(126)51-112/h43,45,62-73,75-99,111-116,121-127,129-137H,7-42,44,46-57H2,1-6H3,(H,106,117)(H,107,118)(H,108,119)(H,109,120)(H,110,128)(H,138,139)(H,140,141)(H,142,143)/b45-43+/t62-,63+,64-,65-,66-,67+,68+,69+,70+,71+,72+,73+,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-,103+,104-,105-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:74](=[N:110][C@@H:62]([CH2:56][O:144][C@H:97]1[C@H:85]([OH:135])[C@@H:84]([OH:134])[C@H:88]([O:150][C@H:99]2[C@H:87]([OH:137])[C@@H:95]([O:157][C@:105]3([C:102](=[O:142])[OH:143])[CH2:49][C@H:66]([OH:124])[C@@H:77]([N:108]=[C:60]([CH3:5])[OH:119])[C@H:93]([C@@H:81]([C@@H:69]([CH2:52][OH:113])[OH:127])[OH:131])[O:155]3)[C@@H:89]([O:151][C@H:96]3[C@H:78]([N:109]=[C:61]([CH3:6])[OH:120])[C@@H:90]([O:152][C@H:98]4[C@H:86]([OH:136])[C@@H:94]([O:156][C@:104]5([C:101](=[O:140])[OH:141])[CH2:48][C@H:65]([OH:123])[C@@H:76]([N:107]=[C:59]([CH3:4])[OH:118])[C@H:92]([C@@H:80]([C@@H:68]([CH2:51][OH:112])[OH:126])[OH:130])[O:154]5)[C@@H:82]([OH:132])[C@@H:70]([CH2:53][OH:114])[O:146]4)[C@@H:83]([OH:133])[C@@H:73]([CH2:57][O:145][C@:103]4([C:100](=[O:138])[OH:139])[CH2:47][C@H:64]([OH:122])[C@@H:75]([N:106]=[C:58]([CH3:3])[OH:117])[C@H:91]([C@@H:79]([C@@H:67]([CH2:50][OH:111])[OH:125])[OH:129])[O:153]4)[O:149]3)[C@@H:72]([CH2:55][OH:116])[O:148]2)[C@@H:71]([CH2:54][OH:115])[O:147]1)[C@@H:63](/[CH:45]=[CH:43]/[CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:121])[OH:128] |
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