| Properties | Image |
|---|
| MNX_ID | MNXM732761 |
 |
| reference | biggM:uagmda |
| formula | C87H139N7O23P2 |
| global charge | -4 |
| mol weight | 1713.043 |
| InChIKey | QSVYTJPCVMYPIS-UHFFFAOYSA-J |
| InChI | InChI=1S/C87H143N7O23P2/c1-56(2)29-18-30-57(3)31-19-32-58(4)33-20-34-59(5)35-21-36-60(6)37-22-38-61(7)39-23-40-62(8)41-24-42-63(9)43-25-44-64(10)45-26-46-65(11)47-27-48-66(12)53-54-113-118(109,110)117-119(111,112)116-87-77(92-71(17)96)79(78(99)75(55-95)115-87)114-70(16)82(102)89-68(14)81(101)93-74(51-52-76(97)98)84(104)94-73(50-28-49-72(88)86(107)108)83(103)90-67(13)80(100)91-69(15)85(105)106/h29,31,33,35,37,39,41,43,45,47,53,67-70,72-75,77-79,87,95,99H,18-28,30,32,34,36,38,40,42,44,46,48-52,54-55,88H2,1-17H3,(H,89,102)(H,90,103)(H,91,100)(H,92,96)(H,93,101)(H,94,104)(H,97,98)(H,105,106)(H,107,108)(H,109,110)(H,111,112)/p-4 |
| SMILES | CC(=O)NC1C(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)OC(CO)C(O)C1OC(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-] |
MNX internals
| InChI (mnx) | InChI=1/C87H143N7O23P2/c1-56(2)29-18-30-57(3)31-19-32-58(4)33-20-34-59(5)35-21-36-60(6)37-22-38-61(7)39-23-40-62(8)41-24-42-63(9)43-25-44-64(10)45-26-46-65(11)47-27-48-66(12)53-54-113-118(109,110)117-119(111,112)116-87-77(92-71(17)96)79(78(99)75(55-95)115-87)114-70(16)82(102)89-68(14)81(101)93-74(51-52-76(97)98)84(104)94-73(50-28-49-72(88)86(107)108)83(103)90-67(13)80(100)91-69(15)85(105)106/h29,31,33,35,37,39,41,43,45,47,53,67-70,72-75,77-79,87,95,99H,18-28,30,32,34,36,38,40,42,44,46,48-52,54-55,88H2,1-17H3,(H,89,102)(H,90,103)(H,91,100)(H,92,96)(H,93,101)(H,94,104)(H,97,98)(H,105,106)(H,107,108)(H,109,110)(H,111,112)/b57-31?,58-33?,59-35?,60-37?,61-39?,62-41?,63-43?,64-45?,65-47?,66-53?/t67?,68?,69?,70?,72?,73?,74?,75?,77?,78?,79?,87? |
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| SMILES (mnx) | [CH3:1][C:56]([CH3:2])=[CH:29][CH2:18][CH2:30][C:57]([CH3:3])=[CH:31][CH2:19][CH2:32][C:58]([CH3:4])=[CH:33][CH2:20][CH2:34][C:59]([CH3:5])=[CH:35][CH2:21][CH2:36][C:60]([CH3:6])=[CH:37][CH2:22][CH2:38][C:61]([CH3:7])=[CH:39][CH2:23][CH2:40][C:62]([CH3:8])=[CH:41][CH2:24][CH2:42][C:63]([CH3:9])=[CH:43][CH2:25][CH2:44][C:64]([CH3:10])=[CH:45][CH2:26][CH2:46][C:65]([CH3:11])=[CH:47][CH2:27][CH2:48][C:66]([CH3:12])=[CH:53][CH2:54][O:113][P:118]([OH:109])(=[O:110])[O:117][P:119]([OH:111])(=[O:112])[O:116][CH:87]1[CH:77]([N:92]=[C:71]([CH3:17])[OH:96])[CH:79]([O:114][CH:70]([CH3:16])[C:82](=[N:89][CH:68]([CH3:14])[C:81](=[N:93][CH:74]([CH2:51][CH2:52][C:76](=[O:97])[OH:98])[C:84](=[N:94][CH:73]([CH2:50][CH2:28][CH2:49][CH:72]([C:86](=[O:107])[OH:108])[NH2:88])[C:83](=[N:90][CH:67]([CH3:13])[C:80](=[N:91][CH:69]([CH3:15])[C:85](=[O:105])[OH:106])[OH:100])[OH:103])[OH:104])[OH:101])[OH:102])[CH:78]([OH:99])[CH:75]([CH2:55][OH:95])[O:115]1 |
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