MAO

5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE

Created:	2001-03-12
Last modified:	2024-09-27

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1 entries where MAO is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	4
Bond Count	47
Aromatic Bond Count	10

2D diagram of MAO

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Chemical Component Summary
Name	5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE
Systematic Name (OpenEye OEToolkits)	(2R,3S,4R,5R)-2-[(2-aminooxyethyl-methyl-amino)methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
Formula	C₁₃ H₂₁ N₇ O₄
Molecular Weight	339.35
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCON)C)N
SMILES	CACTVS	3.341	CN(CCON)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILES	OpenEye OEToolkits	1.5.0	CN(CCON)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Canonical SMILES	CACTVS	3.341	CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N@@](CCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
InChI	InChI	1.03	InChI=1S/C13H21N7O4/c1-19(2-3-23-15)4-7-9(21)10(22)13(24-7)20-6-18-8-11(14)16-5-17-12(8)20/h5-7,9-10,13,21-22H,2-4,15H2,1H3,(H2,14,16,17)/t7-,9-,10-,13-/m1/s1
InChIKey	InChI	1.03	PPIPUCUVJJZYEK-QYVSTXNMSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL461780
PubChem	446204
ChEMBL	CHEMBL461780

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