CHEBI:105630 - 2-[5-(1-methyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[5-(1-methyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid
ChEBI ID CHEBI:105630
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H14N2O6S2
Net Charge 0
Average Mass 406.436
Monoisotopic Mass 406.02933
InChI InChI=1S/C17H14N2O6S2/c1-18-9-5-3-2-4-8(9)12(14(18)22)13-15(23)19(17(26)27-13)10(16(24)25)6-7-11(20)21/h2-5,10H,6-7H2,1H3,(H,20,21)(H,24,25)
InChIKey DNTNVUFHTFVOQF-UHFFFAOYSA-N
SMILES CN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)C(CCC(=O)O)C(=O)O)C1=O
ChEBI Ontology
Outgoing 2-[5-(1-methyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid (CHEBI:105630) is a glutamic acid derivative (CHEBI:24315)
Manual Xref Database
LSM-16993 LINCS
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