The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

glycochenodeoxycholic acid
Synonyms

2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid

C26H43NO5

ID

http://purl.obolibrary.org/obo/dinto_DB02123

binds

http://purl.obolibrary.org/obo/dinto_1987

http://purl.obolibrary.org/obo/dinto_3489

http://purl.obolibrary.org/obo/dinto_2333

http://purl.obolibrary.org/obo/dinto_1974

http://purl.obolibrary.org/obo/dinto_1981

CASRN

640-79-9

Definition

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]

InChI

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

InChIKey=GHCZAUBVMUEKKP-GYPHWSFCSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_1987

http://purl.obolibrary.org/obo/dinto_3489

is substrate of

http://purl.obolibrary.org/obo/dinto_1974

http://purl.obolibrary.org/obo/dinto_1987

http://purl.obolibrary.org/obo/dinto_1981

http://purl.obolibrary.org/obo/dinto_3489

is transported by

http://purl.obolibrary.org/obo/dinto_1974

http://purl.obolibrary.org/obo/dinto_1987

http://purl.obolibrary.org/obo/dinto_1981

http://purl.obolibrary.org/obo/dinto_3489

label

glycochenodeoxycholic acid

prefixIRI

obo2:dinto_DB02123

prefLabel

glycochenodeoxycholic acid

related with

http://purl.obolibrary.org/obo/dinto_2333

SMILES

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

Synonym

2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid

C26H43NO5

xref

PDB:CHO

ChemSpider:25982

ChEBI:36274

PubChem Compound:12544

PubChem Substance:46506300

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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