General Information of the Compound
| Compound ID |
CP0014534
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| Compound Name |
(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
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| Synonyms |
(2S,3R,4E)-2-Amino-4-octadecene-1,3-diol 1-(Dihydroge
(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
26993-30-6
4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), (2S,3R,4E)-
C18-Sphingosine 1-phosphate
CHEBI:37550
CHEMBL225155
D-erythro-Sphingosine-1-phosphate
D-erythro-sphingosine 1-phosphate
DUYSYHSSBDVJSM-KRWOKUGFSA-N
S1P
Sphing-4-enine 1-phosphate
Sphing-4-enine-1-phosphate
Sphingosine 1-phosphate
Sphingosine 1-phosphic acid
Sphingosine-1-phosphate
UNII-YVE187NJ1U
YVE187NJ1U
sphingosine-1-phosphate
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| Structure |
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| Formula |
C18H38NO5P
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| Molecular Weight |
379.478
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| Canonical SMILES |
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
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| InChI |
InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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| InChIKey |
DUYSYHSSBDVJSM-KRWOKUGFSA-N
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| CAS |
26993-39-5
26993-30-6
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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: PT01688, Sphingosine 1-phosphate receptor 1
Cell-based Assay
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Cell-based Assay
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Cell-based Assay
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Cell-based Assay
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5
Cell-based Assay
Clinical Information about the Compound