| Properties | Image |
|---|
| MNX_ID | MNXM1053428 |
 |
| reference | slm:000745828 |
| formula | C43H65N3O15P2 |
| global charge | -2 |
| mol weight | 925.947 |
| InChIKey | UACMEJREQJURIW-PGKZRUDGSA-L |
| InChI | InChI=1S/C43H67N3O15P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(48)59-35(32-56-38(47)4-2)33-57-62(52,53)61-63(54,55)58-34-36-40(49)41(50)42(60-36)46-31-30-37(44)45-43(46)51/h5-6,8-9,11-12,14-15,17-18,20-21,30-31,35-36,40-42,49-50H,3-4,7,10,13,16,19,22-29,32-34H2,1-2H3,(H,52,53)(H,54,55)(H2,44,45,51)/p-2/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t35-,36-,40-,41-,42-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CC)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/C43H67N3O15P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(48)59-35(32-56-38(47)4-2)33-57-62(52,53)61-63(54,55)58-34-36-40(49)41(50)42(60-36)46-31-30-37(44)45-43(46)51/h5-6,8-9,11-12,14-15,17-18,20-21,30-31,35-36,40-42,49-50H,3-4,7,10,13,16,19,22-29,32-34H2,1-2H3,(H,52,53)(H,54,55)(H2,44,45,51)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t35-,36-,40-,41-,42-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH: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]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][C:39](=[O:48])[O:59][C@H:35]([CH2:32][O:56][C:38]([CH2:4][CH3:2])=[O:47])[CH2:33][O:57][P:62]([OH:52])(=[O:53])[O:61][P:63]([OH:54])(=[O:55])[O:58][CH2:34][C@@H:36]1[C@@H:40]([OH:49])[C@@H:41]([OH:50])[C@H:42]([N:46]2[CH:31]=[CH:30][C:37](=[NH:44])[N:45]=[C:43]2[OH:51])[O:60]1 |
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