| Properties | Image |
|---|
| MNX_ID | MNXM344446 |
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| reference | slm:000430994 |
| formula | C16H26O19P3 |
| global charge | -5 |
| mol weight | 615.287 |
| InChIKey | BXLPTZSCHLEVFE-QFCXMFSFSA-I |
| InChI | InChI=1S/C16H31O19P3/c1-3-5-10(18)30-6-8(32-9(17)4-2)7-31-38(28,29)35-14-11(19)12(20)15(33-36(22,23)24)16(13(14)21)34-37(25,26)27/h8,11-16,19-21H,3-7H2,1-2H3,(H,28,29)(H2,22,23,24)(H2,25,26,27)/p-5/t8-,11-,12-,13+,14+,15+,16+/m1/s1 |
| SMILES | CCCC(=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)CC |
MNX internals
| InChI (mnx) | InChI=1/C16H31O19P3/c1-3-5-10(18)30-6-8(32-9(17)4-2)7-31-38(28,29)35-14-11(19)12(20)15(33-36(22,23)24)16(13(14)21)34-37(25,26)27/h8,11-16,19-21H,3-7H2,1-2H3,(H,28,29)(H2,22,23,24)(H2,25,26,27)/t8-,11-,12-,13+,14+,15+,16+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][C:10](=[O:18])[O:30][CH2:6][C@H:8]([CH2:7][O:31][P:38]([OH:28])(=[O:29])[O:35][C@H:14]1[C@H:11]([OH:19])[C@@H:12]([OH:20])[C@H:15]([O:33][P:36]([OH:22])([OH:23])=[O:24])[C@@H:16]([O:34][P:37]([OH:25])([OH:26])=[O:27])[C@H:13]1[OH:21])[O:32][C:9]([CH2:4][CH3:2])=[O:17] |
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