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Bile salt

Properties

Image

Occurences in reactions

MNX_ID

MNXM44289

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₂₄H₄₀O₅

charge

mass

408.28757

reference

keggC:C01558

InChIKey

BHQCQFFYRZLCQQ-UMZBRFQRSA-N

InChI

InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16?,17?,18?,19+,20-,22?,23?,24?/m0/s1

SMILES

CC(CCC(=O)O)C1CCC2C3C(C[C@H](O)C12C)C1(C)CC[C@@H](O)C[C@H]1C[C@H]3O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C01558 keggC:C01558	Bile salt Bile acid
bigg.metabolite:bilea biggM:bilea	Bile acid
seed.compound:cpd01098 seedM:cpd01098	Bile acid Bile salt bilea
CHEBI:36235 chebi:36235	bile acid anion bile acid anions
CHEBI:3098 chebi:3098	bile acid 5beta-bile acid 5beta-bile acids Bile acid Bile salt Gallensaeure Gallensaeuren bile acids
CHEBI:22868 chebi:22868	bile salt Bile acid bile salts
biggM:M_bilea keggC:M_C01558 seedM:M_cpd01098	secondary/obsolete/fantasy identifier