Cholic acid 3-sulfate
- Cholic acid 3-sulfate
- SCHEMBL3128038
- CHEBI:181798
- ST 24:1;O5;S
- (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- Create:2005-08-01
- Modify:2025-01-18
- Cholic acid 3-sulfate
- SCHEMBL3128038
- CHEBI:181798
- ST 24:1;O5;S
- (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- Q63391930
- 3alpha-sulfooxy-7alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid
- (4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-sulooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
- 3,7,12-Trihydroxycholan-24-oic acid, 3-(sulfooxy)-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
186.1 Ų [M-SO3-3H2O+H]+ [CCS Type: DT; Method: single field calibrated]
202.6 Ų [M-SO3-H]- [CCS Type: DT; Method: single field calibrated]
203.6 Ų [M-SO3+Cl]- [CCS Type: DT; Method: single field calibrated]
189.6 Ų [M-SO3-2H2O+H]+ [CCS Type: DT; Method: single field calibrated]
199.3 Ų [M-SO3-H2O-H]- [CCS Type: DT; Method: single field calibrated]
204.3 Ų [M-SO3-H2O+Cl]- [CCS Type: DT; Method: single field calibrated]
192.4 Ų [M-H]- [CCS Type: DT; Method: single field calibrated]
212 Ų [M-H2O-H]- [CCS Type: DT; Method: single field calibrated]
210.3 Ų [M-SO3-H2O+HCOO]- [CCS Type: DT; Method: single field calibrated]
487.23 100
509.21 44
488.24 29
61.98 23
96.95 22
96.95 100
487.23 37
509.21 29
488.24 11
510.21 7
355.261871 100
373.272339 47.63
356.264984 27.49
374.275879 12.39
781.562317 5.31
413.265472 100
431.275024 31.19
414.268280 21.54
432.280701 9.35
415.269409 4.06
- CCSbaseCCSbase Classificationhttps://ccsbase.net/
- ChEBICholic acid 3-sulfatehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:181798
- Japan Chemical Substance Dictionary (Nikkaji)
- MassBank of North America (MoNA)LICENSEThe content of the MoNA database is licensed under CC BY 4.0.https://mona.fiehnlab.ucdavis.edu/documentation/license3alpha-Sulfooxy-7alpha,12alpha-dihydroxy-5beta-cholan-24-oic acidhttps://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27AUVYDCOKXDDYKR-OELDTZBJSA-N%27)
- Metabolomics WorkbenchCholic acid 3-sulfatehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=156675
- Springer Nature
- Wikidata(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acidhttps://www.wikidata.org/wiki/Q63391930
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/