| Properties | Image |
|---|
| MNX_ID | MNXM163985 |
 |
| reference | metacycM:CPD-14258 |
| formula | C105H171N7O36P2 |
| global charge | -2 |
| mol weight | 2169.484 |
| InChIKey | YGYQMWIRLGPSQQ-BRXZKMRRSA-L |
| InChI | InChI=1S/C105H173N7O36P2/c1-58(2)31-21-32-59(3)33-22-34-60(4)35-23-36-61(5)37-24-38-62(6)39-25-40-63(7)41-26-42-64(8)43-27-44-65(9)45-28-46-66(10)47-29-48-67(11)49-30-50-68(12)51-52-135-149(131,132)148-150(133,134)147-105-88(112-76(20)124)99(82(69(13)136-105)106-70(14)118)146-104-87(111-75(19)123)94(130)98(81(57-117)141-104)145-103-86(110-74(18)122)93(129)97(80(56-116)140-103)144-102-85(109-73(17)121)92(128)96(79(55-115)139-102)143-101-84(108-72(16)120)91(127)95(78(54-114)138-101)142-100-83(107-71(15)119)90(126)89(125)77(53-113)137-100/h31,33,35,37,39,41,43,45,47,49,51,69,77-105,113-117,125-130H,21-30,32,34,36,38,40,42,44,46,48,50,52-57H2,1-20H3,(H,106,118)(H,107,119)(H,108,120)(H,109,121)(H,110,122)(H,111,123)(H,112,124)(H,131,132)(H,133,134)/p-2/b59-33+,60-35+,61-37+,62-39-,63-41-,64-43-,65-45-,66-47-,67-49-,68-51-/t69-,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-,104-,105-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4[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]4NC(C)=O)O[C@@H]3CO)O[C@@H]2CO)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](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C105H173N7O36P2/c1-58(2)31-21-32-59(3)33-22-34-60(4)35-23-36-61(5)37-24-38-62(6)39-25-40-63(7)41-26-42-64(8)43-27-44-65(9)45-28-46-66(10)47-29-48-67(11)49-30-50-68(12)51-52-135-149(131,132)148-150(133,134)147-105-88(112-76(20)124)99(82(69(13)136-105)106-70(14)118)146-104-87(111-75(19)123)94(130)98(81(57-117)141-104)145-103-86(110-74(18)122)93(129)97(80(56-116)140-103)144-102-85(109-73(17)121)92(128)96(79(55-115)139-102)143-101-84(108-72(16)120)91(127)95(78(54-114)138-101)142-100-83(107-71(15)119)90(126)89(125)77(53-113)137-100/h31,33,35,37,39,41,43,45,47,49,51,69,77-105,113-117,125-130H,21-30,32,34,36,38,40,42,44,46,48,50,52-57H2,1-20H3,(H,106,118)(H,107,119)(H,108,120)(H,109,121)(H,110,122)(H,111,123)(H,112,124)(H,131,132)(H,133,134)/b59-33+,60-35+,61-37+,62-39-,63-41-,64-43-,65-45-,66-47-,67-49-,68-51-/t69-,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-,104-,105-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:58]([CH3:2])=[CH:31][CH2:21][CH2:32]/[C:59]([CH3:3])=[CH:33]/[CH2:22][CH2:34]/[C:60]([CH3:4])=[CH:35]/[CH2:23][CH2:36]/[C:61]([CH3:5])=[CH:37]/[CH2:24][CH2:38]/[C:62]([CH3:6])=[CH:39]\[CH2:25][CH2:40]/[C:63]([CH3:7])=[CH:41]\[CH2:26][CH2:42]/[C:64]([CH3:8])=[CH:43]\[CH2:27][CH2:44]/[C:65]([CH3:9])=[CH:45]\[CH2:28][CH2:46]/[C:66]([CH3:10])=[CH:47]\[CH2:29][CH2:48]/[C:67]([CH3:11])=[CH:49]\[CH2:30][CH2:50]/[C:68]([CH3:12])=[CH:51]\[CH2:52][O:135][P:149]([OH:131])(=[O:132])[O:148][P:150]([OH:133])(=[O:134])[O:147][C@@H:105]1[C@H:88]([N:112]=[C:76]([CH3:20])[OH:124])[C@@H:99]([O:146][C@@H:104]2[C@H:87]([N:111]=[C:75]([CH3:19])[OH:123])[C@@H:94]([OH:130])[C@@H:98]([O:145][C@@H:103]3[C@H:86]([N:110]=[C:74]([CH3:18])[OH:122])[C@@H:93]([OH:129])[C@@H:97]([O:144][C@H:102]4[C@H:85]([N:109]=[C:73]([CH3:17])[OH:121])[C@@H:92]([OH:128])[C@@H:96]([O:143][C@@H:101]5[C@H:84]([N:108]=[C:72]([CH3:16])[OH:120])[C@@H:91]([OH:127])[C@@H:95]([O:142][C@H:100]6[C@H:83]([N:107]=[C:71]([CH3:15])[OH:119])[C@@H:90]([OH:126])[C@@H:89]([OH:125])[C@@H:77]([CH2:53][OH:113])[O:137]6)[C@@H:78]([CH2:54][OH:114])[O:138]5)[C@@H:79]([CH2:55][OH:115])[O:139]4)[C@@H:80]([CH2:56][OH:116])[O:140]3)[C@@H:81]([CH2:57][OH:117])[O:141]2)[C@H:82]([N:106]=[C:70]([CH3:14])[OH:118])[C@@H:69]([CH3:13])[O:136]1 |
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