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- ChemComp-MTQ: (MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(VI) -

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Basic information

EntryDatabase: PDB chemical components / ID: MTQ
NameName: (molybdopterin-S,S)-dioxo-thio-molybdenum(vi)

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Chemical information

Composition
Formula: C10H8MoN5O8PS2 / Number of atoms: 35 / Formula weight: 517.243 / Formal charge: 0
Others

1ogp

Type: non-polymer / Three letter code: MTQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1OGP
History
Create componentMay 8, 2003
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C2N=C(N=C3NC4OC(=C1S[Mo](=O)(=O)SC1=C4N=C23)COP(=O)(O)O)N
CACTVS 3.341NC1=NC(=O)C2=NC3=C4S[Mo](=O)(=O)SC4=C(CO[P](O)(O)=O)O[CH]3NC2=N1
OpenEye OEToolkits 1.5.0C(C1=C2C(=C3C(O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341NC1=NC(=O)C2=NC3=C4S[Mo](=O)(=O)SC4=C(CO[P](O)(O)=O)O[C@H]3NC2=N1
OpenEye OEToolkits 1.5.0C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo](=O)(=O)S2)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C10H10N5O6PS2.Mo.2O/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;;;/h9,23-24H,1H2,(H2,17,18,19)(H3,11,13,14,15,16);;;/q;+2;;/p-2/t9-;;;/m1.../s1

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InChIKey

InChI 1.03IXNYCVJPVGNGQC-NRYJBHHQSA-L

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SYSTEMATIC NAME

ACDLabs 10.04dioxo(phosphate)molybdenum

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PDB entries

Showing all 1 items

PDB-1ogp:
The crystal structure of plant sulfite oxidase provides insight into sulfite oxidation in plants and animals

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