Tìm theo
Molybdenum Cofactor
Các tên gọi khác (1) :
  • MoCo
Thuốc Gốc
Small Molecule
CAS: 872689-63-9
CTHH: C10H10MoN5O8PS2
PTK: 519.26
Absence of molybdenum cofactor leads to accumulation of toxic levels of sulphite and neurological damage usually leading to death within months of birth, due to the lack of active sulfite oxidase.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H10MoN5O8PS2
Phân tử khối
519.26
Monoisotopic mass
520.876248059
InChI
InChI=1S/C10H14N5O6PS2.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;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;-1/p-4
InChI Key
InChIKey=UCICVTHYJCEWTJ-UHFFFAOYSA-J
IUPAC Name
5-amino-7,13-dioxo-16-[(phosphonatooxy)methyl]-17-oxa-12,14-dithia-2,4,6,9-tetraaza-13-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),5,11(15)-trien-13-olate
Traditional IUPAC Name
5-amino-7,13-dioxo-16-[(phosphonatooxy)methyl]-17-oxa-12,14-dithia-2,4,6,9-tetraaza-13-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),5,11(15)-trien-13-olate
SMILES
NC1=NC(=O)C2=C(NC3OC(COP([O-])([O-])=O)C4=C(S[Mo]([O-])(=O)S4)C3N2)N1
Độ hòa tan
1.61e+01 g/l
logP
-3.1
logS
-1.6
pKa (strongest acidic)
1.19
pKa (Strongest Basic)
3.13
PSA
213.32 Å2
Refractivity
97.61 m3·mol-1
Polarizability
38.11 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
12
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
4
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02137
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936308
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505896
Wikipedia
http://en.wikipedia.org/wiki/Molybdenum_cofactor
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