| Properties | Image |
|---|
| MNX_ID | MNXM1054290 |
 |
| reference | slm:000746690 |
| formula | C50H83N3O15P2 |
| global charge | -2 |
| mol weight | 1028.168 |
| InChIKey | UXPWSLNUNGXTLD-IIXOXKPOSA-L |
| InChI | InChI=1S/C50H85N3O15P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-45(54)63-39-42(66-46(55)35-4-2)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/h8-9,11-12,14-15,17-18,37-38,42-43,47-49,56-57H,3-7,10,13,16,19-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/p-2/b9-8-,12-11-,15-14-,18-17-/t42-,43-,47-,48-,49-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=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)CCC |
MNX internals
| InChI (mnx) | InChI=1/C50H85N3O15P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-45(54)63-39-42(66-46(55)35-4-2)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/h8-9,11-12,14-15,17-18,37-38,42-43,47-49,56-57H,3-7,10,13,16,19-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b9-8-,12-11-,15-14-,18-17-/t42-,43-,47-,48-,49-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][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]([CH2:35][CH2:4][CH3:2])=[O:55] |
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