CHEBI:209212 - Dermacozine J

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dermacozine J
ChEBI ID CHEBI:209212
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H25N5O6S
Net Charge 0
Average Mass 547.590
Monoisotopic Mass 547.15255
InChI InChI=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
InChIKey ZSWYLEPUUBUTJS-SFHVURJKSA-N
SMILES S(C1=C2NC3=C(C=C(C(=O)C4=CC=CC=C4)C=C3C(=O)N)N(C2=C(C(=O)N)C=C1)C)C[C@H](NC(=O)C)C(=O)O
Metabolite of Species Details
Dermacoccus abyssi (NCBI:txid322596) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
31130426 ChemSpider
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