| Properties | Image |
|---|
| MNX_ID | MNXM739668 |
 |
| reference | biggM:uaagmda |
| formula | C95H152N8O28P2 |
| global charge | -4 |
| mol weight | 1916.237 |
| InChIKey | CEHJYQJVVYPVFY-UHFFFAOYSA-J |
| InChI | InChI=1S/C95H156N8O28P2/c1-58(2)30-19-31-59(3)32-20-33-60(4)34-21-35-61(5)36-22-37-62(6)38-23-39-63(7)40-24-41-64(8)42-25-43-65(9)44-26-45-66(10)46-27-47-67(11)48-28-49-68(12)54-55-125-132(121,122)131-133(123,124)130-95-82(101-74(18)107)86(85(79(57-105)128-95)129-94-81(100-73(17)106)84(111)83(110)78(56-104)127-94)126-72(16)89(114)97-70(14)88(113)102-77(52-53-80(108)109)91(116)103-76(51-29-50-75(96)93(119)120)90(115)98-69(13)87(112)99-71(15)92(117)118/h30,32,34,36,38,40,42,44,46,48,54,69-72,75-79,81-86,94-95,104-105,110-111H,19-29,31,33,35,37,39,41,43,45,47,49-53,55-57,96H2,1-18H3,(H,97,114)(H,98,115)(H,99,112)(H,100,106)(H,101,107)(H,102,113)(H,103,116)(H,108,109)(H,117,118)(H,119,120)(H,121,122)(H,123,124)/p-4 |
| SMILES | CC(=O)NC1C(OC2C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(NC(C)=O)C2OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC([NH3+])C(=O)[O-])C(=O)NC(C)C(=O)NC(C)C(=O)[O-])OC(CO)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C95H156N8O28P2/c1-58(2)30-19-31-59(3)32-20-33-60(4)34-21-35-61(5)36-22-37-62(6)38-23-39-63(7)40-24-41-64(8)42-25-43-65(9)44-26-45-66(10)46-27-47-67(11)48-28-49-68(12)54-55-125-132(121,122)131-133(123,124)130-95-82(101-74(18)107)86(85(79(57-105)128-95)129-94-81(100-73(17)106)84(111)83(110)78(56-104)127-94)126-72(16)89(114)97-70(14)88(113)102-77(52-53-80(108)109)91(116)103-76(51-29-50-75(96)93(119)120)90(115)98-69(13)87(112)99-71(15)92(117)118/h30,32,34,36,38,40,42,44,46,48,54,69-72,75-79,81-86,94-95,104-105,110-111H,19-29,31,33,35,37,39,41,43,45,47,49-53,55-57,96H2,1-18H3,(H,97,114)(H,98,115)(H,99,112)(H,100,106)(H,101,107)(H,102,113)(H,103,116)(H,108,109)(H,117,118)(H,119,120)(H,121,122)(H,123,124)/b59-32?,60-34?,61-36?,62-38?,63-40?,64-42?,65-44?,66-46?,67-48?,68-54?/t69?,70?,71?,72?,75?,76?,77?,78?,79?,81?,82?,83?,84?,85?,86?,94?,95? |
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| SMILES (mnx) | [CH3:1][C:58]([CH3:2])=[CH:30][CH2:19][CH2:31][C:59]([CH3:3])=[CH:32][CH2:20][CH2:33][C:60]([CH3:4])=[CH:34][CH2:21][CH2:35][C:61]([CH3:5])=[CH:36][CH2:22][CH2:37][C:62]([CH3:6])=[CH:38][CH2:23][CH2:39][C:63]([CH3:7])=[CH:40][CH2:24][CH2:41][C:64]([CH3:8])=[CH:42][CH2:25][CH2:43][C:65]([CH3:9])=[CH:44][CH2:26][CH2:45][C:66]([CH3:10])=[CH:46][CH2:27][CH2:47][C:67]([CH3:11])=[CH:48][CH2:28][CH2:49][C:68]([CH3:12])=[CH:54][CH2:55][O:125][P:132]([OH:121])(=[O:122])[O:131][P:133]([OH:123])(=[O:124])[O:130][CH:95]1[CH:82]([N:101]=[C:74]([CH3:18])[OH:107])[CH:86]([O:126][CH:72]([CH3:16])[C:89](=[N:97][CH:70]([CH3:14])[C:88](=[N:102][CH:77]([CH2:52][CH2:53][C:80](=[O:108])[OH:109])[C:91](=[N:103][CH:76]([CH2:51][CH2:29][CH2:50][CH:75]([C:93](=[O:119])[OH:120])[NH2:96])[C:90](=[N:98][CH:69]([CH3:13])[C:87](=[N:99][CH:71]([CH3:15])[C:92](=[O:117])[OH:118])[OH:112])[OH:115])[OH:116])[OH:113])[OH:114])[CH:85]([O:129][CH:94]2[CH:81]([N:100]=[C:73]([CH3:17])[OH:106])[CH:84]([OH:111])[CH:83]([OH:110])[CH:78]([CH2:56][OH:104])[O:127]2)[CH:79]([CH2:57][OH:105])[O:128]1 |
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