Experimental Factor Ontology

Last uploaded: March 18, 2024
Preferred Name

deoxycholate

Synonyms

deoxycholate

3alpha,12alpha-dihydroxy-5beta-cholan-24-oate

Desoxycholat

3alpha,12alpha-dihydroxy-5beta-cholanate

ID

http://purl.obolibrary.org/obo/CHEBI_23614

charge

-1

database_cross_reference

Beilstein:3629953

Gmelin:1774558

formula

C24H39O4

has_exact_synonym

deoxycholate

3alpha,12alpha-dihydroxy-5beta-cholan-24-oate

has_obo_namespace

chebi_ontology

has_related_synonym

Desoxycholat

3alpha,12alpha-dihydroxy-5beta-cholanate

id

CHEBI:23614

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1

inchikey

KXGVEGMKQFWNSR-LLQZFEROSA-M

label

deoxycholate

mass

391.56406

monoisotopicmass

391.28538

notation

CHEBI:23614

prefLabel

deoxycholate

smiles

[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2

subClassOf

http://purl.obolibrary.org/obo/CHEBI_24431

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