| Properties | Image |
|---|
| MNX_ID | MNXM336630 |
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| reference | slm:000443512 |
| formula | C43H67O22P4 |
| global charge | -7 |
| mol weight | 1059.883 |
| InChIKey | SURZRPKGCOIPPD-LCQNNILCSA-G |
| InChI | InChI=1S/C43H74O22P4/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)61-35(33-59-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-60-69(57,58)65-40-38(46)41(62-66(48,49)50)43(64-68(54,55)56)42(39(40)47)63-67(51,52)53/h5,7,10-13,16-17,19-20,24,26,35,38-43,46-47H,3-4,6,8-9,14-15,18,21-23,25,27-34H2,1-2H3,(H,57,58)(H2,48,49,50)(H2,51,52,53)(H2,54,55,56)/p-7/b7-5-,12-10-,13-11-,17-16-,20-19-,26-24-/t35-,38+,39+,40-,41+,42-,43-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C43H74O22P4/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)61-35(33-59-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-60-69(57,58)65-40-38(46)41(62-66(48,49)50)43(64-68(54,55)56)42(39(40)47)63-67(51,52)53/h5,7,10-13,16-17,19-20,24,26,35,38-43,46-47H,3-4,6,8-9,14-15,18,21-23,25,27-34H2,1-2H3,(H,57,58)(H2,48,49,50)(H2,51,52,53)(H2,54,55,56)/b7-5-,12-10-,13-11-,17-16-,20-19-,26-24-/t35-,38+,39+,40-,41+,42-,43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:32][C:37](=[O:45])[O:61][C@H:35]([CH2:33][O:59][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:44])[CH2:34][O:60][P:69]([OH:57])(=[O:58])[O:65][C@@H:40]1[C@H:38]([OH:46])[C@H:41]([O:62][P:66]([OH:48])([OH:49])=[O:50])[C@@H:43]([O:64][P:68]([OH:54])([OH:55])=[O:56])[C@H:42]([O:63][P:67]([OH:51])([OH:52])=[O:53])[C@H:39]1[OH:47] |
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