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CHEBI:41586 - 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE

Default Structure
ChEBI IDCHEBI:41586
ChEBI Name3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC32H58N2O7S
Net Charge0
Average Mass614.890
Monoisotopic Mass614.39647
SMILES[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C1([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]1([H])[C@@]2([H])C([H])([H])[C@]([H])(O[H])[C@]2(C([H])([H])[H])[C@@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])S(=O)(=O)[O-])C([H])([H])C([H])([H])[C@]12[H]
InChIInChI=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+/m0/s1
InChIKeyUMCMPZBLKLEWAF-LKUNVWLCSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE (CHEBI:41586) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATEPDBeChem
3-[dimethyl(3-{[(3beta,5beta,7alpha,10alpha,12alpha,14beta,17alpha,20S)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]propane-1-sulfonatePDBeChem
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