| Properties | Image |
|---|
| MNX_ID | MNXM1054017 |
 |
| reference | slm:000746417 |
| formula | C47H75N3O15P2 |
| global charge | -2 |
| mol weight | 984.071 |
| InChIKey | LDKSYAVTYKWZRF-QBMZFQPKSA-L |
| InChI | InChI=1S/C47H77N3O15P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-43(52)60-36-39(63-42(51)4-2)37-61-66(56,57)65-67(58,59)62-38-40-44(53)45(54)46(64-40)50-35-34-41(48)49-47(50)55/h8-9,11-12,14-15,17-18,20-21,34-35,39-40,44-46,53-54H,3-7,10,13,16,19,22-33,36-38H2,1-2H3,(H,56,57)(H,58,59)(H2,48,49,55)/p-2/b9-8-,12-11-,15-14-,18-17-,21-20-/t39-,40-,44-,45-,46-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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)CC |
MNX internals
| InChI (mnx) | InChI=1/C47H77N3O15P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-43(52)60-36-39(63-42(51)4-2)37-61-66(56,57)65-67(58,59)62-38-40-44(53)45(54)46(64-40)50-35-34-41(48)49-47(50)55/h8-9,11-12,14-15,17-18,20-21,34-35,39-40,44-46,53-54H,3-7,10,13,16,19,22-33,36-38H2,1-2H3,(H,56,57)(H,58,59)(H2,48,49,55)/b9-8-,12-11-,15-14-,18-17-,21-20-/t39-,40-,44-,45-,46-/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]/[CH:20]=[CH: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][C:43](=[O:52])[O:60][CH2:36][C@H:39]([CH2:37][O:61][P:66]([OH:56])(=[O:57])[O:65][P:67]([OH:58])(=[O:59])[O:62][CH2:38][C@@H:40]1[C@@H:44]([OH:53])[C@@H:45]([OH:54])[C@H:46]([N:50]2[CH:35]=[CH:34][C:41](=[NH:48])[N:49]=[C:47]2[OH:55])[O:64]1)[O:63][C:42]([CH2:4][CH3:2])=[O:51] |
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