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CHEBI:234533 - glycochenodeoxycholate 3-sulfate(2−)

ChEBI IDCHEBI:234533
ChEBI Nameglycochenodeoxycholate 3-sulfate(2−)
Stars
ASCII Nameglycochenodeoxycholate 3-sulfate(2-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC26H41NO8S
Net Charge-2
Average Mass527.680
Monoisotopic Mass527.25639
SMILES[H][C@@]12C[C@H](OS(=O)(=O)[O-])CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)NCC(=O)[O-])[C@]1([H])[C@H](O)C2
InChIInChI=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)/p-2/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
InChIKeyDKXXSIJHWWVNMO-GYPHWSFCSA-L
ChEBI Ontology
Outgoing Relation(s)
glycochenodeoxycholate 3-sulfate(2−) (CHEBI:234533) has functional parent glycochenodeoxycholate (CHEBI:36252)
glycochenodeoxycholate 3-sulfate(2−) (CHEBI:234533) is a N-acylglycinate (CHEBI:57670)
glycochenodeoxycholate 3-sulfate(2−) (CHEBI:234533) is a cholanic acid conjugate anion (CHEBI:131879)
glycochenodeoxycholate 3-sulfate(2−) (CHEBI:234533) is a steroid sulfate oxoanion (CHEBI:59696)
glycochenodeoxycholate 3-sulfate(2−) (CHEBI:234533) is conjugate base of sulfoglycochenodeoxycholic acid (CHEBI:72733)
Incoming Relation(s)
sulfoglycochenodeoxycholic acid (CHEBI:72733) is conjugate acid of glycochenodeoxycholate 3-sulfate(2−) (CHEBI:234533)
Synonym  Source
G-CDCA 3-sulfate(2−)SUBMITTER
UniProt Name  Source
glycochenodeoxycholate 3-sulfateUniProt
Citations