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NBD-CP

General

Type : Organophosphate,ABPP-Probe,NBD-nitro-benzoxadiazol-fluorescent,Benzoxadiazole,pNP,Phenanthrene

Chemical_Nomenclature : 11-[[(9S,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-(4-nitrophenoxy)phosphoryl]undecyl N-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexyl]carbamate

Canonical SMILES : CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OP(=O)(CCCCCCCCCCCOC(=O)NCCCCCCNC5=CC=C(C6=NON=C56)[N+](=O)[O-])OC7=CC=C(C=C7)[N+](=O)[O-])C)C

InChI : InChI=1S\/C57H87N6O10P\/c1-41(2)20-19-21-42(3)48-28-29-49-47-27-22-43-40-46(32-34-56(43,4)50(47)33-35-57(48,49)5)72-74(69,71-45-25-23-44(24-26-45)62(65)66)39-18-14-10-8-6-7-9-13-17-38-70-55(64)59-37-16-12-11-15-36-58-51-30-31-52(63(67)68)54-53(51)60-73-61-54\/h22-26,30-31,41-42,46-50,58H,6-21,27-29,32-40H2,1-5H3,(H,59,64)\/t42-,46?,47?,48-,49+,50+,56?,57?,74?\/m1\/s1

InChIKey : LIFHPMJVIVQSMT-JRTBJHLISA-N

Other name(s) : 4-nitro-2,1,3-benzoxadiazol Cholesteryl phosphonate

---

MW : 1047,31

Formula : C57H87N6O10P

CAS_number :

PubChem : 11499035

UniChem : LIFHPMJVIVQSMT-JRTBJHLISA-N

Target

References (1)

1. The lipolytic proteome of mouse adipose tissue

Title : The lipolytic proteome of mouse adipose tissue - Birner-Gruenberger_2005_Mol.Cell.Proteomics_4_1710

Author(s) : Birner-Gruenberger R , Susani-Etzerodt H , Waldhuber M , Riesenhuber G , Schmidinger H , Rechberger G , Kollroser M , Strauss JG , Lass A , Zimmermann R , Haemmerle G , Zechner R , Hermetter A

Ref : Mol Cell Proteomics , 4 :1710 , 2005

Abstract : Birner-Gruenberger_2005_Mol.Cell.Proteomics_4_1710

ESTHER : Birner-Gruenberger_2005_Mol.Cell.Proteomics_4_1710

PubMedSearch : Birner-Gruenberger_2005_Mol.Cell.Proteomics_4_1710

PubMedID: 16048907

Array
(
    [id] => 4248
    [inhibitor] => NBD-CP
    [type] => Array
        (
            [0] => Organophosphate
            [1] => ABPP-Probe
            [2] => NBD-nitro-benzoxadiazol-fluorescent
            [3] => Benzoxadiazole
            [4] => pNP
            [5] => Phenanthrene
        )

    [other_name] => Array
        (
            [0] => 4-nitro-2,1,3-benzoxadiazol Cholesteryl phosphonate
        )

    [chemical_nomenclature] => 11-[[(9S,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-(4-nitrophenoxy)phosphoryl]undecyl N-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexyl]carbamate
    [formula] => C57H87N6O10P
    [cas_number] => 
    [mw] => 1047,31
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Birner-Gruenberger_2005_Mol.Cell.Proteomics_4_1710
    [comment] => 
    [gene_locus] => 
    [kin_inhibitor] => 
    [cid] => 11499035
    [family] => 
    [inchikey] => LIFHPMJVIVQSMT-JRTBJHLISA-N
    [canonicalsmiles] => CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OP(=O)(CCCCCCCCCCCOC(=O)NCCCCCCNC5=CC=C(C6=NON=C56)[N+](=O)[O-])OC7=CC=C(C=C7)[N+](=O)[O-])C)C
    [inchi] => InChI=1S\/C57H87N6O10P\/c1-41(2)20-19-21-42(3)48-28-29-49-47-27-22-43-40-46(32-34-56(43,4)50(47)33-35-57(48,49)5)72-74(69,71-45-25-23-44(24-26-45)62(65)66)39-18-14-10-8-6-7-9-13-17-38-70-55(64)59-37-16-12-11-15-36-58-51-30-31-52(63(67)68)54-53(51)60-73-61-54\/h22-26,30-31,41-42,46-50,58H,6-21,27-29,32-40H2,1-5H3,(H,59,64)\/t42-,46?,47?,48-,49+,50+,56?,57?,74?\/m1\/s1
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)