| Properties | Image |
|---|
| MNX_ID | MNXM1052723 |
 |
| reference | slm:000745123 |
| formula | C40H61N3O15P2 |
| global charge | -2 |
| mol weight | 885.882 |
| InChIKey | UHJNXZGJEBAINF-PSMAVBSPSA-L |
| InChI | InChI=1S/C40H63N3O15P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-36(45)53-29-33(56-32(2)44)30-54-59(49,50)58-60(51,52)55-31-34-37(46)38(47)39(57-34)43-28-27-35(41)42-40(43)48/h4-5,7-8,10-11,13-14,16-17,27-28,33-34,37-39,46-47H,3,6,9,12,15,18-26,29-31H2,1-2H3,(H,49,50)(H,51,52)(H2,41,42,48)/p-2/b5-4-,8-7-,11-10-,14-13-,17-16-/t33-,34-,37-,38-,39-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/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(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C40H63N3O15P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-36(45)53-29-33(56-32(2)44)30-54-59(49,50)58-60(51,52)55-31-34-37(46)38(47)39(57-34)43-28-27-35(41)42-40(43)48/h4-5,7-8,10-11,13-14,16-17,27-28,33-34,37-39,46-47H,3,6,9,12,15,18-26,29-31H2,1-2H3,(H,49,50)(H,51,52)(H2,41,42,48)/b5-4-,8-7-,11-10-,14-13-,17-16-/t33-,34-,37-,38-,39-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:36](=[O:45])[O:53][CH2:29][C@H:33]([CH2:30][O:54][P:59]([OH:49])(=[O:50])[O:58][P:60]([OH:51])(=[O:52])[O:55][CH2:31][C@@H:34]1[C@@H:37]([OH:46])[C@@H:38]([OH:47])[C@H:39]([N:43]2[CH:28]=[CH:27][C:35](=[NH:41])[N:42]=[C:40]2[OH:48])[O:57]1)[O:56][C:32]([CH3:2])=[O:44] |
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