| Properties | Image |
|---|
| MNX_ID | MNXM345622 |
 |
| reference | slm:000431058 |
| formula | C21H36O19P3 |
| global charge | -5 |
| mol weight | 685.422 |
| InChIKey | WTXSAXHIASMBDJ-FCXLSZCYSA-I |
| InChI | InChI=1S/C21H41O19P3/c1-3-4-5-6-7-8-9-10-15(23)35-11-14(37-13(2)22)12-36-43(33,34)40-19-16(24)17(25)20(38-41(27,28)29)21(18(19)26)39-42(30,31)32/h14,16-21,24-26H,3-12H2,1-2H3,(H,33,34)(H2,27,28,29)(H2,30,31,32)/p-5/t14-,16-,17-,18+,19+,20+,21+/m1/s1 |
| SMILES | CCCCCCCCCC(=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(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C21H41O19P3/c1-3-4-5-6-7-8-9-10-15(23)35-11-14(37-13(2)22)12-36-43(33,34)40-19-16(24)17(25)20(38-41(27,28)29)21(18(19)26)39-42(30,31)32/h14,16-21,24-26H,3-12H2,1-2H3,(H,33,34)(H2,27,28,29)(H2,30,31,32)/t14-,16-,17-,18+,19+,20+,21+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:15](=[O:23])[O:35][CH2:11][C@H:14]([CH2:12][O:36][P:43]([OH:33])(=[O:34])[O:40][C@H:19]1[C@H:16]([OH:24])[C@@H:17]([OH:25])[C@H:20]([O:38][P:41]([OH:27])([OH:28])=[O:29])[C@@H:21]([O:39][P:42]([OH:30])([OH:31])=[O:32])[C@H:18]1[OH:26])[O:37][C:13]([CH3:2])=[O:22] |
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