EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215004 - N-acetyl-S-(8-methoxy-4H-thiazolo[5,4-b]indol-2-yl)-L-cysteine

ChEBI IDCHEBI:215004
ChEBI NameN-acetyl-S-(8-methoxy-4H-thiazolo[5,4-b]indol-2-yl)-L-cysteine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H15N3O4S2
Net Charge0
Average Mass365.436
Monoisotopic Mass365.05040
SMILESCOc1cccc2nc3sc(SC[C@H](NC(C)=O)C(=O)O)nc3c12
InChIInChI=1S/C15H15N3O4S2/c1-7(19)16-9(14(20)21)6-23-15-18-12-11-8(17-13(12)24-15)4-3-5-10(11)22-2/h3-5,9,17H,6H2,1-2H3,(H,16,19)(H,20,21)/t9-/m0/s1
InChIKeyCCYURQHTZWFINX-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:5455) - PubMed (31683228)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-S-(8-methoxy-4H-thiazolo[5,4-b]indol-2-yl)-L-cysteine (CHEBI:215004) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2R)-2-acetamido-3-[(8-methoxy-4H-[1,3]thiazolo[5,4-b]indol-2-yl)sulanyl]propanoic acid