OntologieschebiclassesCHEBI:72733   
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sulfoglycochenodeoxycholic acid
http://purl.obolibrary.org/obo/CHEBI_72733

A steroid sulfate that is the 3-O-sulfo derivative of glycochenodeoxycholic acid.

Also appears inslm
Exact Synonyms
N-[(3alpha,5beta,7alpha)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine
Related Synonyms
3-sulfo-GCDCA
GCDCS
Glycochenodeoxycholate-3-sulfate
Glycochenodeoxycholate-3-sulphate
class Information
charge

0

formula

C26H43NO8S

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1

inchikey

DKXXSIJHWWVNMO-GYPHWSFCSA-N

in_subset

3_STAR

mass

529.68700

monoisotopicmass

529.27094

smiles

[H][C@@]12C[C@@H](CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O)OS(O)(=O)=O

class Relations