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CHEBI:61637 - N,S-isopropylidene-D-penicillamine

ChEBI IDCHEBI:61637
ChEBI NameN,S-isopropylidene-D-penicillamine
Stars
ASCII NameN,S-isopropylidene-D-penicillamine
DefinitionA thiazolidinemonocarboxylic acid having the carboxy group at the 4-position and four additional methyl substituents at positions 2, 2, 5 and 5.
Last Modified12 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC8H15NO2S
Net Charge0
Average Mass189.280
Monoisotopic Mass189.08235
SMILESCC1(C)N[C@@H](C(=O)O)C(C)(C)S1
InChIInChI=1S/C8H15NO2S/c1-7(2)5(6(10)11)9-8(3,4)12-7/h5,9H,1-4H3,(H,10,11)/t5-/m0/s1
InChIKeyILJCRVOHKUEEIW-YFKPBYRVSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
N,S-isopropylidene-D-penicillamine (CHEBI:61637) has role allergen (CHEBI:50904)
N,S-isopropylidene-D-penicillamine (CHEBI:61637) is a thiazolidinemonocarboxylic acid (CHEBI:48875)
IUPAC Name 
(4S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid
Synonym  Source
(S)-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acidChEBI
Registry NumbersSources
Reaxys:82303Reaxys
CAS:29041-38-1Reaxys
Citations