| Properties | Image |
|---|
| MNX_ID | MNXM1137710 |
 |
| reference | biggM:eca2und |
| formula | C103H162N6O37P2 |
| global charge | -4 |
| mol weight | 2138.382 |
| InChIKey | MZJZIKXMNHVIKT-UHFFFAOYSA-J |
| InChI | InChI=1S/C103H166N6O37P2/c1-55(2)31-21-32-56(3)33-22-34-57(4)35-23-36-58(5)37-24-38-59(6)39-25-40-60(7)41-26-42-61(8)43-27-44-62(9)45-28-46-63(10)47-29-48-64(11)49-30-50-65(12)51-52-133-147(129,130)146-148(131,132)145-101-81(109-73(20)117)84(120)90(75(54-111)137-101)139-100-80(108-72(19)116)86(122)93(95(144-100)97(127)128)142-103-88(124)91(77(67(14)135-103)105-69(16)113)140-98-78(106-70(17)114)83(119)89(74(53-110)136-98)138-99-79(107-71(18)115)85(121)92(94(143-99)96(125)126)141-102-87(123)82(118)76(66(13)134-102)104-68(15)112/h31,33,35,37,39,41,43,45,47,49,51,66-67,74-95,98-103,110-111,118-124H,21-30,32,34,36,38,40,42,44,46,48,50,52-54H2,1-20H3,(H,104,112)(H,105,113)(H,106,114)(H,107,115)(H,108,116)(H,109,117)(H,125,126)(H,127,128)(H,129,130)(H,131,132)/p-4 |
| SMILES | CC(=O)NC1C(C)OC(OC2C(C(=O)[O-])OC(OC3C(CO)OC(OC4C(O)C(OC5C(C(=O)[O-])OC(OC6C(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)C6O)C(NC(C)=O)C5O)OC(C)C4NC(C)=O)C(NC(C)=O)C3O)C(NC(C)=O)C2O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C103H166N6O37P2/c1-55(2)31-21-32-56(3)33-22-34-57(4)35-23-36-58(5)37-24-38-59(6)39-25-40-60(7)41-26-42-61(8)43-27-44-62(9)45-28-46-63(10)47-29-48-64(11)49-30-50-65(12)51-52-133-147(129,130)146-148(131,132)145-101-81(109-73(20)117)84(120)90(75(54-111)137-101)139-100-80(108-72(19)116)86(122)93(95(144-100)97(127)128)142-103-88(124)91(77(67(14)135-103)105-69(16)113)140-98-78(106-70(17)114)83(119)89(74(53-110)136-98)138-99-79(107-71(18)115)85(121)92(94(143-99)96(125)126)141-102-87(123)82(118)76(66(13)134-102)104-68(15)112/h31,33,35,37,39,41,43,45,47,49,51,66-67,74-95,98-103,110-111,118-124H,21-30,32,34,36,38,40,42,44,46,48,50,52-54H2,1-20H3,(H,104,112)(H,105,113)(H,106,114)(H,107,115)(H,108,116)(H,109,117)(H,125,126)(H,127,128)(H,129,130)(H,131,132)/b56-33?,57-35?,58-37?,59-39?,60-41?,61-43?,62-45?,63-47?,64-49?,65-51?/t66?,67?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91?,92?,93?,94?,95?,98?,99?,100?,101?,102?,103? |
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| SMILES (mnx) | [CH3:1][C:55]([CH3:2])=[CH:31][CH2:21][CH2:32][C:56]([CH3:3])=[CH:33][CH2:22][CH2:34][C:57]([CH3:4])=[CH:35][CH2:23][CH2:36][C:58]([CH3:5])=[CH:37][CH2:24][CH2:38][C:59]([CH3:6])=[CH:39][CH2:25][CH2:40][C:60]([CH3:7])=[CH:41][CH2:26][CH2:42][C:61]([CH3:8])=[CH:43][CH2:27][CH2:44][C:62]([CH3:9])=[CH:45][CH2:28][CH2:46][C:63]([CH3:10])=[CH:47][CH2:29][CH2:48][C:64]([CH3:11])=[CH:49][CH2:30][CH2:50][C:65]([CH3:12])=[CH:51][CH2:52][O:133][P:147]([OH:129])(=[O:130])[O:146][P:148]([OH:131])(=[O:132])[O:145][CH:101]1[CH:81]([N:109]=[C:73]([CH3:20])[OH:117])[CH:84]([OH:120])[CH:90]([O:139][CH:100]2[CH:80]([N:108]=[C:72]([CH3:19])[OH:116])[CH:86]([OH:122])[CH:93]([O:142][CH:103]3[CH:88]([OH:124])[CH:91]([O:140][CH:98]4[CH:78]([N:106]=[C:70]([CH3:17])[OH:114])[CH:83]([OH:119])[CH:89]([O:138][CH:99]5[CH:79]([N:107]=[C:71]([CH3:18])[OH:115])[CH:85]([OH:121])[CH:92]([O:141][CH:102]6[CH:87]([OH:123])[CH:82]([OH:118])[CH:76]([N:104]=[C:68]([CH3:15])[OH:112])[CH:66]([CH3:13])[O:134]6)[CH:94]([C:96](=[O:125])[OH:126])[O:143]5)[CH:74]([CH2:53][OH:110])[O:136]4)[CH:77]([N:105]=[C:69]([CH3:16])[OH:113])[CH:67]([CH3:14])[O:135]3)[CH:95]([C:97](=[O:127])[OH:128])[O:144]2)[CH:75]([CH2:54][OH:111])[O:137]1 |
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