Cholyl-CoA

General

Type : CoA || Aminopurin || Phenanthrene

Chemical_Nomenclature : S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanethioate

Canonical SMILES : CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)C4CCC5C4(C(CC6C5C(CC7C6(CCC(C7)O)C)O)O)C

InChI : InChI=1S\/C45H74N7O20P3S\/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52\/h21-31,34,36-38,42,53-55,58-59H,6-20H2,1-5H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)\/t23-,24+,25-,26-,27+,28+,29-,30-,31+,34+,36-,37-,38+,42-,44+,45-\/m1\/s1

InChIKey : ZKWNOTQHFKYUNU-JGCIYWTLSA-N

Other name(s) : Cholyl-coenzyme A, Choloyl-coenzyme A, Cholyl-CoA, Choloyl-CoA, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoyl-CoA, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-one-CoA


MW : 1158.09

Formula : C45H74N7O20P3S

CAS_number :

PubChem :

UniChem :

Iuphar :

Target

References (2)

Title : The human bile acid-CoA:amino acid N-acyltransferase functions in the conjugation of fatty acids to glycine - O'Byrne_2003_J.Biol.Chem_278_34237
Author(s) : O'Byrne J , Hunt MC , Rai DK , Saeki M , Alexson SE
Ref : Journal of Biological Chemistry , 278 :34237 , 2003
PubMedID: 12810727
Gene_locus related to this paper: human-BAAT , mouse-BAAT

Title : Glycine and taurine conjugation of bile acids by a single enzyme. Molecular cloning and expression of human liver bile acid CoA:amino acid N-acyltransferase. -
Author(s) : Falany CN , Johnson MR , Barnes S , Diasio RB
Ref : Journal of Biological Chemistry , 269 :19375 , 1994
PubMedID: 8034703
Gene_locus related to this paper: human-BAAT