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3. 3-Cholesteryl-N-butylcarbamate

3-Cholesteryl-N-butylcarbamate

General

Type : Carbamate,Steroid,Phenanthrene,Lipase inhibitor

Chemical_Nomenclature : [(3S,8S,9S,10R,13R,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] N-butylcarbamate

Canonical SMILES : CCCCNC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

InChI : InChI=1S\/C32H55NO2\/c1-7-8-20-33-30(34)35-25-16-18-31(5)24(21-25)12-13-26-28-15-14-27(23(4)11-9-10-22(2)3)32(28,6)19-17-29(26)31\/h12,22-23,25-29H,7-11,13-21H2,1-6H3,(H,33,34)\/t23-,25+,26+,27-,28+,29+,31+,32-\/m1\/s1

InChIKey : YRLNNPIPHGFZON-PTHRTHQKSA-N

Other name(s) : 3-Cholesteryl N-butylcarbamate,3-Cnbc,DTXSID50967290,Cholest-5-en-3-ol (3beta)-, butylcarbamate,Cholest-5-en-3-yl hydrogen butylcarbonimidate

---

MW : 485.8

Formula : C32H55NO2

CAS_number : 52829-26-2

PubChem : 6452731

UniChem : YRLNNPIPHGFZON-PTHRTHQKSA-N

Target

Families : 3-Cholesteryl-N-butylcarbamate ligand of proteins in family
Cholesterol_esterase

Protein :
pig-i3ltk9

References (1)

1. p-Nitrophenyl and cholesteryl-N-alkyl carbamates as inhibitors of cholesterol esterase

Title : p-Nitrophenyl and cholesteryl-N-alkyl carbamates as inhibitors of cholesterol esterase - Hosie_1987_J.Biol.Chem_262_260

Author(s) : Hosie L , Sutton LD , Quinn DM

Ref : Journal of Biological Chemistry , 262 :260 , 1987

Abstract : Hosie_1987_J.Biol.Chem_262_260

ESTHER : Hosie_1987_J.Biol.Chem_262_260

PubMedSearch : Hosie_1987_J.Biol.Chem_262_260

PubMedID: 3793726

Gene_locus related to this paper: pig-i3ltk9

Array
(
    [id] => 3786
    [inhibitor] => 3-Cholesteryl-N-butylcarbamate
    [type] => Array
        (
            [0] => Carbamate
            [1] => Steroid
            [2] => Phenanthrene
            [3] => Lipase inhibitor
        )

    [other_name] => Array
        (
            [0] => 3-Cholesteryl N-butylcarbamate
            [1] => 3-Cnbc
            [2] => DTXSID50967290
            [3] => Cholest-5-en-3-ol (3beta)-, butylcarbamate
            [4] => Cholest-5-en-3-yl hydrogen butylcarbonimidate
        )

    [chemical_nomenclature] => [(3S,8S,9S,10R,13R,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] N-butylcarbamate
    [formula] => C32H55NO2
    [cas_number] => 52829-26-2
    [mw] => 485.8
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Hosie_1987_J.Biol.Chem_262_260
    [comment] => 
    [gene_locus] => pig-i3ltk9
    [kin_inhibitor] => 
    [cid] => 6452731
    [family] => Cholesterol_esterase
    [inchikey] => YRLNNPIPHGFZON-PTHRTHQKSA-N
    [canonicalsmiles] => CCCCNC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
    [inchi] => InChI=1S\/C32H55NO2\/c1-7-8-20-33-30(34)35-25-16-18-31(5)24(21-25)12-13-26-28-15-14-27(23(4)11-9-10-22(2)3)32(28,6)19-17-29(26)31\/h12,22-23,25-29H,7-11,13-21H2,1-6H3,(H,33,34)\/t23-,25+,26+,27-,28+,29+,31+,32-\/m1\/s1
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)