EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209212 - Dermacozine J

ChEBI IDCHEBI:209212
ChEBI NameDermacozine J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H25N5O6S
Net Charge0
Average Mass547.593
Monoisotopic Mass547.15255
SMILESCC(=O)N[C@@H](CSc1ccc(C(N)=O)c2c1Nc1c(C(N)=O)cc(C(=O)c3ccccc3)cc1N2C)C(=O)O
InChIInChI=1S/C27H25N5O6S/c1-13(33)30-18(27(37)38)12-39-20-9-8-16(25(28)35)23-22(20)31-21-17(26(29)36)10-15(11-19(21)32(23)2)24(34)14-6-4-3-5-7-14/h3-11,18,31H,12H2,1-2H3,(H2,28,35)(H2,29,36)(H,30,33)(H,37,38)/t18-/m0/s1
InChIKeyZSWYLEPUUBUTJS-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Dermacoccus abyssi (ncbitaxon:322596) - PubMed (24499261)
ChEBI Ontology
Outgoing Relation(s)
Dermacozine J (CHEBI:209212) is a phenazines (CHEBI:39201)
IUPAC Name 
2-acetamido-3-[(7-benzoyl-4,9-dicarbamoyl-5-methyl-10H-phenazin-1-yl)sulanyl]propanoic acid
Manual XrefsDatabases
31130426ChemSpider