| Properties | Image |
MNX_ID | MNXM740190 |
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reference | keggC:C03799 |
formula | C16H29O9P |
global charge | 0 |
mol weight | 396.373 |
InChIKey | AROVEDSNJVIDDK-KZLBPRFTSA-N |
InChI | InChI=1S/C16H29O9P/c1-10(2)5-4-6-11(3)7-8-23-26(21,22)25-16-15(20)14(19)13(18)12(9-17)24-16/h5,7,12-20H,4,6,8-9H2,1-3H3,(H,21,22)/b11-7+/t12-,13-,14+,15-,16+/m1/s1 |
SMILES | CC(C)=CCC/C(C)=C/COP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
InChI (mnx) | InChI=1/C16H29O9P/c1-10(2)5-4-6-11(3)7-8-23-26(21,22)25-16-15(20)14(19)13(18)12(9-17)24-16/h5,7,12-20H,4,6,8-9H2,1-3H3,(H,21,22)/b11-7+/t12-,13-,14+,15-,16+/m1/s1 |
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SMILES (mnx) | [CH3:1][C:10]([CH3:2])=[CH:5][CH2:4][CH2:6]/[C:11]([CH3:3])=[CH:7]/[CH2:8][O:23][P:26]([OH:21])(=[O:22])[O:25][C@H:16]1[C@H:15]([OH:20])[C@@H:14]([OH:19])[C@H:13]([OH:18])[C@@H:12]([CH2:9][OH:17])[O:24]1 |
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