| Properties | Image |
|---|
| MNX_ID | MNXM1050116 |
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| reference | slm:000742516 |
| formula | C50H79N3O15P2 |
| global charge | -2 |
| mol weight | 1024.136 |
| InChIKey | WRQUMFUDSZZQGI-RPWWMJGRSA-L |
| InChI | InChI=1S/C50H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-45(54)63-39-42(66-46(55)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h5,7,11-14,17-19,21,26,28,37-38,42-43,47-49,56-57H,3-4,6,8-10,15-16,20,22-25,27,29-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/p-2/b7-5-,13-11-,14-12-,19-17-,21-18-,28-26-/t42-,43-,47-,48-,49-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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)CCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-45(54)63-39-42(66-46(55)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h5,7,11-14,17-19,21,26,28,37-38,42-43,47-49,56-57H,3-4,6,8-10,15-16,20,22-25,27,29-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b7-5-,13-11-,14-12-,19-17-,21-18-,28-26-/t42-,43-,47-,48-,49-/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:19]\[CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:45](=[O:54])[O:63][CH2:39][C@H:42]([CH2:40][O:64][P:69]([OH:59])(=[O:60])[O:68][P:70]([OH:61])(=[O:62])[O:65][CH2:41][C@@H:43]1[C@@H:47]([OH:56])[C@@H:48]([OH:57])[C@H:49]([N:53]2[CH:38]=[CH:37][C:44](=[NH:51])[N:52]=[C:50]2[OH:58])[O:67]1)[O:66][C:46]([CH2:36][CH2:34][CH2:32][CH2:30]/[CH:28]=[CH:26]\[CH2:24]/[CH:21]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
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