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CHEBI:195614 - 3β-sulfo-5-cholenoate(2−)

ChEBI IDCHEBI:195614
ChEBI Name3β-sulfo-5-cholenoate(2−)
Stars
ASCII Name3beta-sulfo-5-cholenoate(2-)
Submitterlaimo
DownloadsMolfile
FormulaC24H36O6S
Net Charge-2
Average Mass452.613
Monoisotopic Mass452.22436
SMILES[H][C@@]12CC=C3C[C@@H](OS(=O)(=O)[O-])CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H]([C@H](C)CCC(=O)[O-])CC[C@@]21[H]
InChIInChI=1S/C24H38O6S/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21H,4,6-14H2,1-3H3,(H,25,26)(H,27,28,29)/p-2/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChIKeyYZVVZYNJACRDSJ-QIZZZRFXSA-L
ChEBI Ontology
Outgoing Relation(s)
3β-sulfo-5-cholenoate(2−) (CHEBI:195614) is a bile acid sulfate conjugate (CHEBI:195349)
Synonyms  Source
5-cholenoyl-3β-sulfate(2−)SUBMITTER
chol-5-en-24-ate 3β-sulfate(2−)SUBMITTER
UniProt Name  Source
3β-sulfo-5-cholenateUniProt
Citations