| Properties | Image |
|---|
| MNX_ID | MNXM185574 |
 |
| reference | slm:000426336 |
| formula | C44H76O19P3 |
| global charge | -5 |
| mol weight | 1001.995 |
| InChIKey | PKXSPBQPGJNOTM-YVTPQXQQSA-I |
| InChI | InChI=1S/C44H81O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-26-28-30-32-37(45)58-34-36(60-38(46)33-31-29-27-24-14-12-10-8-6-4-2)35-59-66(56,57)63-42-39(47)40(48)43(61-64(50,51)52)44(41(42)49)62-65(53,54)55/h11,13,16-17,19-20,36,39-44,47-49H,3-10,12,14-15,18,21-35H2,1-2H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/p-5/b13-11-,17-16-,20-19-/t36-,39-,40-,41+,42+,43+,44+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H81O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-26-28-30-32-37(45)58-34-36(60-38(46)33-31-29-27-24-14-12-10-8-6-4-2)35-59-66(56,57)63-42-39(47)40(48)43(61-64(50,51)52)44(41(42)49)62-65(53,54)55/h11,13,16-17,19-20,36,39-44,47-49H,3-10,12,14-15,18,21-35H2,1-2H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/b13-11-,17-16-,20-19-/t36-,39-,40-,41+,42+,43+,44+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][C:37](=[O:45])[O:58][CH2:34][C@H:36]([CH2:35][O:59][P:66]([OH:56])(=[O:57])[O:63][C@H:42]1[C@H:39]([OH:47])[C@@H:40]([OH:48])[C@H:43]([O:61][P:64]([OH:50])([OH:51])=[O:52])[C@@H:44]([O:62][P:65]([OH:53])([OH:54])=[O:55])[C@H:41]1[OH:49])[O:60][C:38]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:24][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46] |
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