T6A

N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)CARBAMOYL]THREONINE-5'-MONOPHOSPHATE

Created:	1999-07-08
Last modified:	2021-03-01

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76 entries where T6A is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	6
Bond Count	56
Aromatic Bond Count	10

2D diagram of T6A

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Chemical Component Summary
Name	N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)CARBAMOYL]THREONINE-5'-MONOPHOSPHATE
Synonyms	N-(NEBULARIN-6-YLCARBAMOYL)-L-THREONINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	(2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]carbamoylamino]-3-hydroxy-butanoic acid
Formula	C₁₅ H₂₁ N₆ O₁₁ P
Molecular Weight	492.335
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(NC(=O)Nc3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(O)C
SMILES	CACTVS	3.341	C[CH](O)[CH](NC(=O)Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)O
Canonical SMILES	CACTVS	3.341	C[C@@H](O)[C@H](NC(=O)Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]([C@@H](C(=O)O)NC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27)/t5-,6-,7+,9-,10-,13-/m1/s1
InChIKey	InChI	1.03	BHFCEFYJTLMMEQ-DWVDDHQFSA-N

Related Resource References

Resource Name	Reference
PubChem	3037598
ChEBI	CHEBI:74637

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