Preferred Name

Chenodeoxycholylglycine
Synonyms

2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid

ID

http://purl.obolibrary.org/obo/CHEBI_180956

charge

0

database_cross_reference

Chemspider:25982

HMDB:HMDB0242392

formula

C26H43NO5

has_exact_synonym

2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid

has_obo_namespace

chebi_ontology

id

CHEBI:180956

in_subset

http://purl.obolibrary.org/obo/chebi#2_STAR

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)

inchikey

GHCZAUBVMUEKKP-UHFFFAOYSA-N

label

Chenodeoxycholylglycine

mass

449.632

monoisotopicmass

449.31412

notation

CHEBI:180956

prefLabel

Chenodeoxycholylglycine

smiles

OC1C2C3C(C(CC3)C(CCC(=O)NCC(O)=O)C)(CCC2C4(C(C1)CC(O)CC4)C)C

treeView

http://purl.obolibrary.org/obo/CHEBI_36255

subClassOf

http://purl.obolibrary.org/obo/CHEBI_36255

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