Substrate

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Substrate Report for: 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|644071
UniChem|ZKWNOTQHFKYUNU-JGCIYWTLSA-N
IUPHAR|
Wikipedia|

Target
Families | Cholyl-CoA ligand of proteins in family: Acyl-CoA_Thioesterase
Protein | human-BAAT

References:
Search PubMed for references concerning: Cholyl-CoA
    Title: The human bile acid-CoA:amino acid N-acyltransferase functions in the conjugation of fatty acids to glycine
    O'Byrne J, Hunt MC, Rai DK, Saeki M, Alexson SE
    Ref: Journal of Biological Chemistry, 278:34237, 2003 : PubMed

            

    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.
    Falany CN, Johnson MR, Barnes S, Diasio RB
    Ref: Journal of Biological Chemistry, 269:19375, 1994 : PubMed