EFO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_132030 http://purl.obolibrary.org/obo/CHEBI_132030 https://agroportal.lirmm.fr/ontologies/EFO/CHEBI_132030 Loading
Preferred name	glycoursodeoxycholate
Synonyms	glycoursodeoxycholate N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)glycinate N-(3alpha,7beta-Dihydroxy-5beta-cholan-24-oyl)glycinate {[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate N-ursodeoxycholoylglycinate
Definitions	A N-acylglycinate that is the conjugate base of glycoursodeoxycholic acid. obtained by deprotonation of the carboxy group; major species at pH 7.3.

rdf:type	http://www.w3.org/2002/07/owl#Class Loading
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_24431 Loading
rdfs:label	glycoursodeoxycholate
skos:notation	CHEBI:132030
obo_purl:IAO_0000115	A N-acylglycinate that is the conjugate base of glycoursodeoxycholic acid. obtained by deprotonation of the carboxy group; major species at pH 7.3.
oboinowl_gen:hasExactSynonym	glycoursodeoxycholate N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)glycinate
oboinowl_gen:hasDbXref	PMID:16332456 Reaxys:4301713
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:132030
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
oboinowl_gen:hasRelatedSynonym	N-(3alpha,7beta-Dihydroxy-5beta-cholan-24-oyl)glycinate {[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate N-ursodeoxycholoylglycinate
obo_purl:charge	-1
obo_purl:formula	C26H42NO5
obo_purl: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)/p-1/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1
obo_purl:inchikey	GHCZAUBVMUEKKP-XROMFQGDSA-M
obo_purl:mass	448.616
obo_purl:monoisotopicmass	448.30685
obo_purl:smiles	C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(NCC([O-])=O)=O)C)[H])C)[H])C

Subject	Author	Type	Created
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