SA8

S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE

Created:	2005-03-16
Last modified:	2020-06-05

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6 entries where SA8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	5
Bond Count	52
Aromatic Bond Count	10

2D diagram of SA8

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Chemical Component Summary
Name	S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE
Synonyms	5'-[N-[(3S)-3-AMINO-3-CARBOXYPROPYL]-N-METHYLAMINO]-5'-DEOXYADENOSINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-amino]butanoic acid
Formula	C₁₅ H₂₃ N₇ O₅
Molecular Weight	381.387
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CCN(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
SMILES	CACTVS	3.341	CN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILES	OpenEye OEToolkits	1.5.0	CN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Canonical SMILES	CACTVS	3.341	CN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
InChI	InChI	1.03	InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
InChIKey	InChI	1.03	JISVTSUBJCPLSV-TWBCTODHSA-N

Drug Info: DrugBank

DrugBank ID	DB03458 ?
Name	N(4)-Adenosyl-N(4)-methyl-2,4-diaminobutanoic acid
Groups	experimental
Description	N(4)-adenosyl-n(4)-methyl-2,4-diaminobutanoic acid is a solid. This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.
Synonyms	N(4)-Adenosyl-N(4)-methyl-2,4-diaminobutanoic acid 5'-{[(3S)-3-Amino-3-carboxypropyl](methyl)amino}-5'-deoxyadenosine
Categories	Acids, Acyclic Amino Acids Amino Acids, Peptides, and Proteins Butyrates
CAS number	111770-79-7

Related Resource References

Resource Name	Reference
PubChem	188380
ChEMBL	CHEMBL1235825

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