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CHEBI:29646 - NAC-Diketide

ChEBI IDCHEBI:29646
ChEBI NameNAC-Diketide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H17NO4S
Net Charge0
Average Mass307.371
Monoisotopic Mass307.08783
SMILESCC(=O)NCCSC(=O)CC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C15H17NO4S/c1-11(17)16-8-9-21-15(20)10-14(19)7-4-12-2-5-13(18)6-3-12/h2-7,18H,8-10H2,1H3,(H,16,17)/b7-4+
InChIKeyLZTXIEWMBZRCDP-QPJJXVBHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
NAC-Diketide (CHEBI:29646) is a hydroxycinnamic acid (CHEBI:24689)
Synonym  Source
NAC-DiketideKEGG COMPOUND
Manual XrefsDatabases
C12089KEGG COMPOUND