MTE

PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER

Created:	1999-07-08
Last modified:	2011-06-04

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58 entries where MTE is found as a standalone ligand1 entries where MTE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	3
Bond Count	40
Aromatic Bond Count	6

2D diagram of MTE

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Chemical Component Summary
Name	PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER
Systematic Name (OpenEye OEToolkits)	[(5aR,8R,9aR)-2-amino-4-oxo-6,7-bis-sulfanyl-3,5,5a,8,9a,10-hexahydropyrano[5,6-g]pteridin-8-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₄ N₅ O₆ P S₂
Molecular Weight	395.352
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC2OC3NC=1N=C(NC(=O)C=1NC3C(S)=C2S)N
SMILES	CACTVS	3.341	NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(O)=O)C(=C3S)S)C(=O)N1
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(=C(C2C(O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@H](CO[P](O)(O)=O)C(=C3S)S)C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/t2-,3+,9-/m1/s1
InChIKey	InChI	1.03	HPEUEJRPDGMIMY-IFQPEPLCSA-N

Related Resource References

Resource Name	Reference
PubChem	5288852, 444331, 135398581
ChEBI	CHEBI:44074

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