| Properties | Image |
|---|
| MNX_ID | MNXM1053800 |
 |
| reference | slm:000746200 |
| formula | C58H93N3O15P2 |
| global charge | -2 |
| mol weight | 1134.336 |
| InChIKey | KSDAYLBVAGPDJF-JGKPARQESA-L |
| InChI | InChI=1S/C58H95N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-53(62)71-47-50(74-54(63)44-42-40-38-36-34-31-16-14-12-10-8-6-4-2)48-72-77(67,68)76-78(69,70)73-49-51-55(64)56(65)57(75-51)61-46-45-52(59)60-58(61)66/h5,7,11,13-14,16-18,20-21,23-24,26-27,45-46,50-51,55-57,64-65H,3-4,6,8-10,12,15,19,22,25,28-44,47-49H2,1-2H3,(H,67,68)(H,69,70)(H2,59,60,66)/p-2/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t50-,51-,55-,56-,57-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H95N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-53(62)71-47-50(74-54(63)44-42-40-38-36-34-31-16-14-12-10-8-6-4-2)48-72-77(67,68)76-78(69,70)73-49-51-55(64)56(65)57(75-51)61-46-45-52(59)60-58(61)66/h5,7,11,13-14,16-18,20-21,23-24,26-27,45-46,50-51,55-57,64-65H,3-4,6,8-10,12,15,19,22,25,28-44,47-49H2,1-2H3,(H,67,68)(H,69,70)(H2,59,60,66)/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t50-,51-,55-,56-,57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:53](=[O:62])[O:71][CH2:47][C@H:50]([CH2:48][O:72][P:77]([OH:67])(=[O:68])[O:76][P:78]([OH:69])(=[O:70])[O:73][CH2:49][C@@H:51]1[C@@H:55]([OH:64])[C@@H:56]([OH:65])[C@H:57]([N:61]2[CH:46]=[CH:45][C:52](=[NH:59])[N:60]=[C:58]2[OH:66])[O:75]1)[O:74][C:54]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:31]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:63] |
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