Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate
go back to main search page
Accession:CHEBI:1418 term browser browse the term
Definition:A 1,1-diunsubstituted alkanesulfonate that has formula C32H58N2O7S.
Synonyms:related_synonym: 3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate;   CHAPS;   Formula=C32H58N2O7S;   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;   SMILES=C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
 xref: CAS:75621-03-3;   KEGG:C11321;   PDBeChem:CPS


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19817
    role 19767
      biological role 19767
        xenobiotic 18424
          1,1-diunsubstituted alkanesulfonate 7
            3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19817
    subatomic particle 19815
      composite particle 19815
        hadron 19815
          baryon 19815
            nucleon 19815
              atomic nucleus 19815
                atom 19815
                  main group element atom 19705
                    p-block element atom 19705
                      carbon group element atom 19614
                        carbon atom 19603
                          organic molecular entity 19603
                            organic molecule 19532
                              organic cyclic compound 19348
                                organic polycyclic compound 16404
                                  steroid 12819
                                    steroid fundamental parent 12435
                                      cholane 938
                                        cholanoid 938
                                          cholanic acids 922
                                            cholanic acid 922
                                              5beta-cholanic acid 922
                                                hydroxy-5beta-cholanic acid 922
                                                  trihydroxy-5beta-cholanic acid 251
                                                    cholic acid 250
                                                      3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate 0
paths to the root