| Properties | Image |
|---|
| MNX_ID | MNXM1048947 |
 |
| reference | slm:000741341 |
| formula | C44H75N3O15P2 |
| global charge | -2 |
| mol weight | 948.038 |
| InChIKey | HOXKQIAFAQEADG-UMVQDOPSSA-L |
| InChI | InChI=1S/C44H77N3O15P2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-40(49)60-36(33-57-39(48)29-27-25-23-21-19-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h10,12-13,15,31-32,36-37,41-43,50-51H,3-9,11,14,16-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/p-2/b12-10-,15-13+/t36-,37-,41-,42-,43-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=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)CCCCCCCCC/C=C/CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H77N3O15P2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-40(49)60-36(33-57-39(48)29-27-25-23-21-19-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h10,12-13,15,31-32,36-37,41-43,50-51H,3-9,11,14,16-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/b12-10-,15-13+/t36-,37-,41-,42-,43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]/[CH2:16][CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C:40](=[O:49])[O:60][C@H:36]([CH2:33][O:57][C:39]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:48])[CH2:34][O:58][P:63]([OH:53])(=[O:54])[O:62][P:64]([OH:55])(=[O:56])[O:59][CH2:35][C@@H:37]1[C@@H:41]([OH:50])[C@@H:42]([OH:51])[C@H:43]([N:47]2[CH:32]=[CH:31][C:38](=[NH:45])[N:46]=[C:44]2[OH:52])[O:61]1 |
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