| Properties | Image |
|---|
| MNX_ID | MNXM1370449 |
 |
| reference | keggC:C17541 |
| formula | C96H160N10O26P2 |
| global charge | 0 |
| mol weight | 1932.328 |
| InChIKey | VCKYTGCICDTHCU-OQUIGZRYSA-N |
| InChI | InChI=1S/C96H160N10O26P2/c1-60(2)31-21-32-61(3)33-22-34-62(4)35-23-36-63(5)37-24-38-64(6)39-25-40-65(7)41-26-42-66(8)43-27-44-67(9)45-28-46-68(10)47-29-48-69(11)49-30-50-70(12)54-56-126-133(122,123)132-134(124,125)131-96-84(104-76(18)110)88(87(80(59-108)129-96)130-95-83(103-75(17)109)86(114)85(113)79(58-107)128-95)127-74(16)92(118)100-72(14)91(117)106-77(89(98)115)52-53-81(111)105-78(51-19-20-55-99-82(112)57-97)93(119)101-71(13)90(116)102-73(15)94(120)121/h31,33,35,37,39,41,43,45,47,49,54,71-74,77-80,83-88,95-96,107-108,113-114H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-59,97H2,1-18H3,(H2,98,115)(H,99,112)(H,100,118)(H,101,119)(H,102,116)(H,103,109)(H,104,110)(H,105,111)(H,106,117)(H,120,121)(H,122,123)(H,124,125)/b61-33+,62-35+,63-37-,64-39-,65-41-,66-43-,67-45-,68-47-,69-49-,70-54-/t71-,72+,73-,74-,77-,78+,79-,80-,83-,84-,85-,86-,87-,88-,95+,96-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(N)=O)[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]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C96H160N10O26P2/c1-60(2)31-21-32-61(3)33-22-34-62(4)35-23-36-63(5)37-24-38-64(6)39-25-40-65(7)41-26-42-66(8)43-27-44-67(9)45-28-46-68(10)47-29-48-69(11)49-30-50-70(12)54-56-126-133(122,123)132-134(124,125)131-96-84(104-76(18)110)88(87(80(59-108)129-96)130-95-83(103-75(17)109)86(114)85(113)79(58-107)128-95)127-74(16)92(118)100-72(14)91(117)106-77(89(98)115)52-53-81(111)105-78(51-19-20-55-99-82(112)57-97)93(119)101-71(13)90(116)102-73(15)94(120)121/h31,33,35,37,39,41,43,45,47,49,54,71-74,77-80,83-88,95-96,107-108,113-114H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-59,97H2,1-18H3,(H2,98,115)(H,99,112)(H,100,118)(H,101,119)(H,102,116)(H,103,109)(H,104,110)(H,105,111)(H,106,117)(H,120,121)(H,122,123)(H,124,125)/b61-33+,62-35+,63-37-,64-39-,65-41-,66-43-,67-45-,68-47-,69-49-,70-54-/t71-,72+,73-,74-,77-,78+,79-,80-,83-,84-,85-,86-,87-,88-,95+,96-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:60]([CH3:2])=[CH:31][CH2:21][CH2:32]/[C:61]([CH3:3])=[CH:33]/[CH2:22][CH2:34]/[C:62]([CH3:4])=[CH:35]/[CH2:23][CH2:36]/[C:63]([CH3:5])=[CH:37]\[CH2:24][CH2:38]/[C:64]([CH3:6])=[CH:39]\[CH2:25][CH2:40]/[C:65]([CH3:7])=[CH:41]\[CH2:26][CH2:42]/[C:66]([CH3:8])=[CH:43]\[CH2:27][CH2:44]/[C:67]([CH3:9])=[CH:45]\[CH2:28][CH2:46]/[C:68]([CH3:10])=[CH:47]\[CH2:29][CH2:48]/[C:69]([CH3:11])=[CH:49]\[CH2:30][CH2:50]/[C:70]([CH3:12])=[CH:54]\[CH2:56][O:126][P:133]([OH:122])(=[O:123])[O:132][P:134]([OH:124])(=[O:125])[O:131][C@@H:96]1[C@H:84]([N:104]=[C:76]([CH3:18])[OH:110])[C@@H:88]([O:127][C@H:74]([CH3:16])[C:92](=[N:100][C@@H:72]([CH3:14])[C:91](=[N:106][C@H:77]([CH2:52][CH2:53][C:81](=[N:105][C@@H:78]([CH2:51][CH2:19][CH2:20][CH2:55][N:99]=[C:82]([CH2:57][NH2:97])[OH:112])[C:93](=[N:101][C@H:71]([CH3:13])[C:90](=[N:102][C@H:73]([CH3:15])[C:94](=[O:120])[OH:121])[OH:116])[OH:119])[OH:111])[C:89](=[NH:98])[OH:115])[OH:117])[OH:118])[C@H:87]([O:130][C@H:95]2[C@H:83]([N:103]=[C:75]([CH3:17])[OH:109])[C@@H:86]([OH:114])[C@H:85]([OH:113])[C@@H:79]([CH2:58][OH:107])[O:128]2)[C@@H:80]([CH2:59][OH:108])[O:129]1 |
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