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CHEBI:211855 - Mabetailiachelin

ChEBI IDCHEBI:211855
ChEBI NameMabetailiachelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34N2O4S2
Net Charge0
Average Mass466.669
Monoisotopic Mass466.19600
SMILESCCCCCc1cccc(O)c1C1=N[C@@H]([C@H]2SC[C@@H]([C@@H](O)C(C)(C)C(=O)O)N2C)CS1
InChIInChI=1S/C23H34N2O4S2/c1-5-6-7-9-14-10-8-11-17(26)18(14)20-24-15(12-30-20)21-25(4)16(13-31-21)19(27)23(2,3)22(28)29/h8,10-11,15-16,19,21,26-27H,5-7,9,12-13H2,1-4H3,(H,28,29)/t15-,16+,19-,21-/m1/s1
InChIKeyQZBCDLLHQSDFIG-NNNWTRQLSA-N
Species of MetaboliteComponentSourceComments
Massiliaspecies NR 4-1 (ncbitaxon:1678028) - PubMed (31293678)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Mabetailiachelin (CHEBI:211855) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name 
(3S)-3-hydroxy-3-[(2R,4R)-2-[(4R)-2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2,2-dimethylpropanoic acid