General Information of the Compound
| Compound ID |
CP0406328
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| Compound Name |
(2S)-2-amino-3-[hydroxy-[(2R)-2-methoxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
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| Structure |
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| Formula |
C25H48NO9P
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| Molecular Weight |
537.631
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC
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| InChI |
InChI=1S/C25H48NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)33-19-22(32-2)20-34-36(30,31)35-21-23(26)25(28)29/h10-11,22-23H,3-9,12-21,26H2,1-2H3,(H,28,29)(H,30,31)/b11-10-/t22-,23+/m1/s1
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| InChIKey |
MGUDEPTZDHRLSZ-MCNIBRDVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06254, Probable G-protein coupled receptor 34
Protein ID: PT06396, Putative P2Y purinoceptor 10