26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate (CHEBI:184191)

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CHEBI:184191 - 26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate

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ChEBI ID	CHEBI:184191
ChEBI Name	26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H54O11
Net Charge	0
Average Mass	638.795
Monoisotopic Mass	638.36661
SMILES	C/C(CC(O)C(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O
InChI	InChI=1S/C34H54O11/c1-15(16(2)31(43)45-32-30(42)29(41)28(40)25(14-35)44-32)10-23(37)17(3)21-8-9-22-20-7-6-18-11-19(36)12-26(39)34(18,5)27(20)24(38)13-33(21,22)4/h6,17,19-30,32,35-42H,7-14H2,1-5H3/b16-15-
InChIKey	PKYGFGNTTYORCF-NXVVXOECSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	serum (BTO:0001239)	MetaboLights (MTBLS3725)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate (CHEBI:184191) is a bile acid (CHEBI:3098)

IUPAC Name
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (Z)-5-hydroxy-2,3-dimethyl-6-(1,3,11-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-2-enoate

Manual Xrefs	Databases
HMDB0040405	HMDB