CHEBI:125605 - (3-propyl-1H-indol-5-yl)methanesulfonic acid

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ChEBI Name (3-propyl-1H-indol-5-yl)methanesulfonic acid
ChEBI ID CHEBI:125605
ChEBI ASCII Name (3-propyl-1H-indol-5-yl)methanesulfonic acid
Definition A member of the class of indoles that is 1H-indole which is substituted by a propyl group at position 3 and by a sulfomethyl group at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H15NO3S
Net Charge 0
Average Mass 253.320
Monoisotopic Mass 253.07726
InChI InChI=1S/C12H15NO3S/c1-2-3-10-7-13-12-5-4-9(6-11(10)12)8-17(14,15)16/h4-7,13H,2-3,8H2,1H3,(H,14,15,16)
InChIKey WYFJNQLEVJHNQH-UHFFFAOYSA-N
SMILES CCCC1=CNC2=C1C=C(C=C2)CS(O)(=O)=O
ChEBI Ontology
Outgoing (3-propyl-1H-indol-5-yl)methanesulfonic acid (CHEBI:125605) is a indoles (CHEBI:24828)
(3-propyl-1H-indol-5-yl)methanesulfonic acid (CHEBI:125605) is a organosulfonic acid (CHEBI:33551)
IUPAC Name
(3-propyl-1H-indol-5-yl)methanesulfonic acid
Manual Xref Database
LSM-37151 LINCS
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Last Modified
20 May 2020