CHO

GLYCOCHENODEOXYCHOLIC ACID

Created:	1999-07-08
Last modified:	2012-12-21

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15 entries where CHO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	75
Chiral Atom Count	10
Bond Count	78
Aromatic Bond Count	0

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Chemical Component Summary
Name	GLYCOCHENODEOXYCHOLIC ACID
Systematic Name (OpenEye OEToolkits)	2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid
Formula	C₂₆ H₄₃ N O₅
Molecular Weight	449.623
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CNC(=O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C
SMILES	CACTVS	3.370	C[CH](CCC(=O)NCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
SMILES	OpenEye OEToolkits	1.7.6	CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
Canonical SMILES	CACTVS	3.370	C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI	InChI	1.03	InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
InChIKey	InChI	1.03	GHCZAUBVMUEKKP-GYPHWSFCSA-N

Drug Info: DrugBank

DrugBank ID	DB02123
Name	Glycochenodeoxycholic Acid
Groups	experimental
Description	A bile salt formed in the liver from chenodeoxycholate and glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is a cholagogue and choleretic. [PubChem]
Synonyms	Glycochenodeoxycholic Acid
Categories	Amino Acids Amino Acids, Peptides, and Proteins Bile Acids and Salts BSEP/ABCB11 Inhibitors BSEP/ABCB11 Substrates Cholanes Cholic Acids Compounds used in a research, industrial, or household setting Detergents Fused-Ring Compounds Glycodeoxycholic Acid Household Products N-substituted Glycines Steroids Surface-Active Agents
CAS number	640-79-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
7-alpha-hydroxysteroid dehydrogenase	MFNSDNLRLDGKCAIITGAGAGIGKEIAITFATAGASVVVSDINADAANH...	unknown
Bile salt export pump	MSDSVILRSIKKFGEENDGFESDKSYNNDKKSRLQDEKKGDGVRVGFFQL...	unknown	substrate,inhibitor
Solute carrier organic anion transporter family member 1A2	MGETEKRIETHRIRCLSKLKMFLLAITCAFVSKTLSGSYMNSMLTQIERQ...	unknown	substrate,inhibitor
Ileal sodium/bile acid cotransporter	MNDPNSCVDNATVCSGASCVVPESNFNNILSVVLSTVLTILLALVMFSMG...	unknown	substrate
Sodium/bile acid cotransporter	MEAHNASAPFNFTLPPNFGKRPTDLALSVILVFMLFFIMLSLGCTMEFSK...	unknown	substrate

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682