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CHEBI:1418 - 3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate
| Formula | C32H58N2O7S |
| Net Charge | 0 |
| Average Mass | 614.890 |
| Monoisotopic Mass | 614.39647 |
| SMILES | [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@]1([H])[C@H](O)C2 |
| InChI | InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1 |
| InChIKey | UMCMPZBLKLEWAF-BCTGSCMUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate (CHEBI:1418) has functional parent cholic acid (CHEBI:16359) |
| 3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate (CHEBI:1418) is a ammonium betaine (CHEBI:35284) |
| 3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate (CHEBI:1418) is conjugate base of 3-[(cholamidopropyl)dimethylammonio]-1-propanesulfonate (CHEBI:190983) |
| Incoming Relation(s) |
| 3-[(cholamidopropyl)dimethylammonio]-1-propanesulfonate (CHEBI:190983) is conjugate acid of 3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate (CHEBI:1418) |
| Synonyms | Source |
|---|---|
| 3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate | KEGG COMPOUND |
| CHAPS | KEGG COMPOUND |