| Properties | Image |
|---|
| MNX_ID | MNXM176964 |
 |
| reference | slm:000456423 |
| formula | C21H37O16P2 |
| global charge | -3 |
| mol weight | 607.459 |
| InChIKey | WBILLVRTQSQUNM-FJWHAJLZSA-K |
| InChI | InChI=1S/C21H40O16P2/c1-3-5-7-9-14(22)33-11-13(35-15(23)10-8-6-4-2)12-34-39(31,32)37-21-18(26)16(24)17(25)20(19(21)27)36-38(28,29)30/h13,16-21,24-27H,3-12H2,1-2H3,(H,31,32)(H2,28,29,30)/p-3/t13-,16+,17+,18-,19-,20-,21+/m1/s1 |
| SMILES | CCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C21H40O16P2/c1-3-5-7-9-14(22)33-11-13(35-15(23)10-8-6-4-2)12-34-39(31,32)37-21-18(26)16(24)17(25)20(19(21)27)36-38(28,29)30/h13,16-21,24-27H,3-12H2,1-2H3,(H,31,32)(H2,28,29,30)/t13-,16+,17+,18-,19-,20-,21+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][C:14](=[O:22])[O:33][CH2:11][C@H:13]([CH2:12][O:34][P:39]([OH:31])(=[O:32])[O:37][C@H:21]1[C@H:18]([OH:26])[C@@H:16]([OH:24])[C@H:17]([OH:25])[C@@H:20]([O:36][P:38]([OH:28])([OH:29])=[O:30])[C@H:19]1[OH:27])[O:35][C:15]([CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:23] |
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