General Information of the Compound
| Compound ID |
CP0011023
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| Compound Name |
AdoHcy
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| Synonyms |
(L-)-S-adenosyl-L-homocysteine
(S)-5'-(S)-(3-Amino-3-carboxypropyl)-5'-thioadenosine
2-S-adenosyl-L-homocysteine
5'-Deoxy-S-adenosyl-L-homocysteine
979-92-0
Adenosyl-L-homocysteine
AdoHcy
BRN 5166233
Formycinylhomocysteine
L-Homocysteine, S-(5'-deoxyadenosin-5'-yl)-
L-S-Adenosylhomocysteine
S-(5'-adenosyl)-L-homocysteine
S-(5'-deoxyadenosin-5'-yl)-L-homocysteine
S-Adenosyl Homocysteine
S-Adenosyl-L-Homocysteine
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
S-adenosyl-L-homocysteine
S-adenosyl-homocysteine
S-adenosylhomocysteine
SAH
UNII-8K31Q2S66S
adenosyl-homo-cys
adenosylhomo-cys
adenosylhomocysteine
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| Structure |
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| Formula |
C14H20N6O5S
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| Molecular Weight |
384.418
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| Canonical SMILES |
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
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| InChI |
InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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| InChIKey |
ZJUKTBDSGOFHSH-WFMPWKQPSA-N
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| CAS |
75899-14-8
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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: PT02598, DNA (cytosine-5)-methyltransferase 1
Protein ID: PT04206, DNA (cytosine-5)-methyltransferase 3B
Protein ID: PT03003, Histone-lysine N-methyltransferase EZH2
Protein ID: PT05070, N6-adenosine-methyltransferase catalytic subunit
Protein ID: PT02218, Protein arginine N-methyltransferase 1
Clinical Information about the Compound