| Properties | Image |
|---|
| MNX_ID | MNXM1368560 |
 |
| reference | metacycM:CPD-14259 |
| formula | C111H181N7O41P2 |
| global charge | -2 |
| mol weight | 2331.625 |
| InChIKey | UNWLHBGOABGYBQ-DZBHWJKISA-L |
| InChI | InChI=1S/C111H183N7O41P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)51-52-144-160(140,141)159-161(142,143)158-110-89(117-76(19)130)103(84(70(13)145-110)112-71(14)125)156-108-88(116-75(18)129)96(137)100(81(56-122)150-108)153-106-86(114-73(16)127)94(135)101(82(57-123)148-106)154-109-90(118-77(20)131)104(157-111-98(139)97(138)92(133)79(54-120)147-111)102(83(58-124)151-109)155-107-87(115-74(17)128)95(136)99(80(55-121)149-107)152-105-85(113-72(15)126)93(134)91(132)78(53-119)146-105/h31,33,35,37,39,41,43,45,47,49,51,70,78-111,119-124,132-139H,21-30,32,34,36,38,40,42,44,46,48,50,52-58H2,1-20H3,(H,112,125)(H,113,126)(H,114,127)(H,115,128)(H,116,129)(H,117,130)(H,118,131)(H,140,141)(H,142,143)/p-2/b60-33+,61-35+,62-37+,63-39-,64-41-,65-43-,66-45-,67-47-,68-49-,69-51-/t70-,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+,104-,105+,106-,107-,108-,109+,110-,111+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](C)[C@H]2NC(C)=O)O[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]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C111H183N7O41P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)51-52-144-160(140,141)159-161(142,143)158-110-89(117-76(19)130)103(84(70(13)145-110)112-71(14)125)156-108-88(116-75(18)129)96(137)100(81(56-122)150-108)153-106-86(114-73(16)127)94(135)101(82(57-123)148-106)154-109-90(118-77(20)131)104(157-111-98(139)97(138)92(133)79(54-120)147-111)102(83(58-124)151-109)155-107-87(115-74(17)128)95(136)99(80(55-121)149-107)152-105-85(113-72(15)126)93(134)91(132)78(53-119)146-105/h31,33,35,37,39,41,43,45,47,49,51,70,78-111,119-124,132-139H,21-30,32,34,36,38,40,42,44,46,48,50,52-58H2,1-20H3,(H,112,125)(H,113,126)(H,114,127)(H,115,128)(H,116,129)(H,117,130)(H,118,131)(H,140,141)(H,142,143)/b60-33+,61-35+,62-37+,63-39-,64-41-,65-43-,66-45-,67-47-,68-49-,69-51-/t70-,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+,104-,105+,106-,107-,108-,109+,110-,111+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:59]([CH3:2])=[CH:31][CH2:21][CH2:32]/[C:60]([CH3:3])=[CH:33]/[CH2:22][CH2:34]/[C:61]([CH3:4])=[CH:35]/[CH2:23][CH2:36]/[C:62]([CH3:5])=[CH:37]/[CH2:24][CH2:38]/[C:63]([CH3:6])=[CH:39]\[CH2:25][CH2:40]/[C:64]([CH3:7])=[CH:41]\[CH2:26][CH2:42]/[C:65]([CH3:8])=[CH:43]\[CH2:27][CH2:44]/[C:66]([CH3:9])=[CH:45]\[CH2:28][CH2:46]/[C:67]([CH3:10])=[CH:47]\[CH2:29][CH2:48]/[C:68]([CH3:11])=[CH:49]\[CH2:30][CH2:50]/[C:69]([CH3:12])=[CH:51]\[CH2:52][O:144][P:160]([OH:140])(=[O:141])[O:159][P:161]([OH:142])(=[O:143])[O:158][C@@H:110]1[C@H:89]([N:117]=[C:76]([CH3:19])[OH:130])[C@@H:103]([O:156][C@@H:108]2[C@H:88]([N:116]=[C:75]([CH3:18])[OH:129])[C@@H:96]([OH:137])[C@@H:100]([O:153][C@@H:106]3[C@H:86]([N:114]=[C:73]([CH3:16])[OH:127])[C@@H:94]([OH:135])[C@@H:101]([O:154][C@H:109]4[C@H:90]([N:118]=[C:77]([CH3:20])[OH:131])[C@@H:104]([O:157][C@H:111]5[C@H:98]([OH:139])[C@@H:97]([OH:138])[C@H:92]([OH:133])[C@@H:79]([CH2:54][OH:120])[O:147]5)[C@@H:102]([O:155][C@@H:107]5[C@H:87]([N:115]=[C:74]([CH3:17])[OH:128])[C@@H:95]([OH:136])[C@@H:99]([O:152][C@H:105]6[C@H:85]([N:113]=[C:72]([CH3:15])[OH:126])[C@@H:93]([OH:134])[C@@H:91]([OH:132])[C@@H:78]([CH2:53][OH:119])[O:146]6)[C@@H:80]([CH2:55][OH:121])[O:149]5)[C@@H:83]([CH2:58][OH:124])[O:151]4)[C@@H:82]([CH2:57][OH:123])[O:148]3)[C@@H:81]([CH2:56][OH:122])[O:150]2)[C@H:84]([N:112]=[C:71]([CH3:14])[OH:125])[C@@H:70]([CH3:13])[O:145]1 |
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