| Properties | Image |
|---|
| MNX_ID | MNXM1054340 |
 |
| reference | slm:000746740 |
| formula | C70H111N3O15P2 |
| global charge | -2 |
| mol weight | 1296.612 |
| InChIKey | KSKUEWXNTOEVEM-JOWWYCDFSA-L |
| InChI | InChI=1S/C70H113N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49-51-53-55-65(74)83-59-62(86-66(75)56-54-52-50-48-46-44-42-40-38-35-24-22-20-18-16-14-12-10-8-6-4-2)60-84-89(79,80)88-90(81,82)85-61-63-67(76)68(77)69(87-63)73-58-57-64(71)72-70(73)78/h6,8,11-14,17-20,23-25,27-28,30-31,35,40,42,57-58,62-63,67-69,76-77H,3-5,7,9-10,15-16,21-22,26,29,32-34,36-39,41,43-56,59-61H2,1-2H3,(H,79,80)(H,81,82)(H2,71,72,78)/p-2/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,31-30-,35-24-,42-40-/t62-,63-,67-,68-,69-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C70H113N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49-51-53-55-65(74)83-59-62(86-66(75)56-54-52-50-48-46-44-42-40-38-35-24-22-20-18-16-14-12-10-8-6-4-2)60-84-89(79,80)88-90(81,82)85-61-63-67(76)68(77)69(87-63)73-58-57-64(71)72-70(73)78/h6,8,11-14,17-20,23-25,27-28,30-31,35,40,42,57-58,62-63,67-69,76-77H,3-5,7,9-10,15-16,21-22,26,29,32-34,36-39,41,43-56,59-61H2,1-2H3,(H,79,80)(H,81,82)(H2,71,72,78)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,31-30-,35-24-,42-40-/t62-,63-,67-,68-,69-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:65](=[O:74])[O:83][CH2:59][C@H:62]([CH2:60][O:84][P:89]([OH:79])(=[O:80])[O:88][P:90]([OH:81])(=[O:82])[O:85][CH2:61][C@@H:63]1[C@@H:67]([OH:76])[C@@H:68]([OH:77])[C@H:69]([N:73]2[CH:58]=[CH:57][C:64](=[NH:71])[N:72]=[C:70]2[OH:78])[O:87]1)[O:86][C:66]([CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44]/[CH:42]=[CH:40]\[CH2:38]/[CH:35]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:75] |
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