EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:45513 - 2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACID

Default Structure
ChEBI IDCHEBI:45513
ChEBI Name2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACID
Stars
DownloadsMolfile
FormulaC7H14O2S
Net Charge0
Average Mass162.254
Monoisotopic Mass162.07145
SMILES[H]OC(=O)[C@@]([H])(C([H])([H])S[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C7H14O2S/c1-5(2)3-6(4-10)7(8)9/h5-6,10H,3-4H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKeyGCTDRFXPPSVRRP-ZCFIWIBFSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACID (CHEBI:45513) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-4-methyl-2-(sulfanylmethyl)pentanoic acidPDBeChem
2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACIDPDBeChem
Manual XrefsDatabases
SLEPDBeChem