Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

P4J

Summary
Name:[(2~{R},3~{R},4~{R},5~{S})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium
Formula:C8 H9 N2 O22 V6
Formal charge:0
Formula weight:790.806 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01vanadium(4+) hydroxide dihydroxy(dioxido)vanadium (2R,3R,4R,5S)-2-(1H-imidazol-1-yl)-5-(oxidomethyl)tetrahydrofuran-3,4-diolate trihydroxy(oxido)vanadium (4:10:1:1:1) (non-preferred name)
OpenEye OEToolkits2.0.7[bis($l^{1}-oxidanyl)-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-[(2~{S},3~{R},4~{R},5~{R})-2-[[bis($l^{1}-oxidanyl)-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxymethyl]-5-imidazol-1-yl-4-[tris($l^{1}-oxidanyl)vanadiooxy]oxolan-3-yl]oxy-bis($l^{1}-oxidanyl)vanadium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(C(O[V](O)(O)O)C(O[V](O)(O)O[V](O)(O)O[V](O)(O)O)C(CO[V](O)(O)O[V](O)(O)O)O1)n2ccnc2
InChIInChI1.03InChI=1S/C8H9N2O4.15H2O.3O.6V/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,4-8H,3H2;15*1H2;;;;;;;;;/q-3;;;;;;;;;;;;;;;;;;;+2;4*+3;+4/p-15/t5-,6+,7+,8+;;;;;;;;;;;;;;;;;;;;;;;;/m0......................../s1
InChIKeyInChI1.03OAPMYOKMHVXLOA-RERAPKNWSA-A
SMILES_CANONICALCACTVS3.385O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V]OC[C@@H]1O[C@H]([C@H](O[V])[C@@H]1O[V]O[V]O[V])n2ccnc2
SMILESCACTVS3.385O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V]OC[CH]1O[CH]([CH](O[V])[CH]1O[V]O[V]O[V])n2ccnc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])[O]
SMILESOpenEye OEToolkits2.0.7c1cn(cn1)C2C(C(C(O2)CO[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])[O]

222624

数据于2024-07-17公开中

PDB statisticsPDBj update infoContact PDBjnumon