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SAH : Summary
Code 
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SAH
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One-letter code 
|
C
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Molecule name 
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S-ADENOSYL-L-HOMOCYSTEINE
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Systematic names 
|
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Formula 
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C14 H20 N6 O5 S
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Formal charge 
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0
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Molecular weight 
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384.411 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O |
SMILES
|
CACTVS |
3.341 |
N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N |
Canonical SMILES
|
CACTVS |
3.341 |
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N |
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IUPAC 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 |
IUPAC InChI key  | ZJUKTBDSGOFHSH-WFMPWKQPSA-N |
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wwPDB Information |
Atom count 
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46 (26 without Hydrogen)
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Polymer type 
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Bound ligand
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Type description 
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L-PEPTIDE LINKING
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Type code 
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ATOMP
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Is modified 
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Yes
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Standard parent 
|
CYS
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Defined at 
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1999-07-08
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Last modified at 
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2011-06-04
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Status 
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Released
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Obsoleted 
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Not Assigned
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