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CHEBI:195624 - 3α-sulfoglycodeoxycholate(2−)

ChEBI IDCHEBI:195624
ChEBI Name3α-sulfoglycodeoxycholate(2−)
Stars
ASCII Name3alpha-sulfoglycodeoxycholate(2-)
Last Modified27 June 2025
Submitterlaimo
DownloadsMolfile
FormulaC26H41NO8S
Net Charge-2
Average Mass527.680
Monoisotopic Mass527.25639
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)NCC(=O)[O-])[C@@]1(C)CC[C@@H](OS(=O)(=O)[O-])C2
InChIInChI=1S/C26H43NO8S/c1-15(4-9-23(29)27-14-24(30)31)19-7-8-20-18-6-5-16-12-17(35-36(32,33)34)10-11-25(16,2)21(18)13-22(28)26(19,20)3/h15-22,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/p-2/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1
InChIKeyQJZCNFGUZPMYAX-BUXLTGKBSA-L
ChEBI Ontology
Outgoing Relation(s)
3α-sulfoglycodeoxycholate(2−) (CHEBI:195624) is a N-acylglycinate (CHEBI:57670)
3α-sulfoglycodeoxycholate(2−) (CHEBI:195624) is a cholanic acid conjugate anion (CHEBI:131879)
3α-sulfoglycodeoxycholate(2−) (CHEBI:195624) is a steroid sulfate oxoanion (CHEBI:59696)
Synonyms  Source
glycodeoxycholate 3α-sulfate(2−)SUBMITTER
3α-sulfodeoxycholatecholate-N-glycinate(2−)SUBMITTER
UniProt Name  Source
glycodeoxycholate 3-sulfateUniProt
Citations