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CHEBI:193903 - Pulcherosine

ChEBI IDCHEBI:193903
ChEBI NamePulcherosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29N3O9
Net Charge0
Average Mass539.541
Monoisotopic Mass539.19038
SMILESNC(Cc1ccc(Oc2cc(CC(N)C(=O)O)cc(-c3cc(CC(N)C(=O)O)ccc3O)c2O)cc1)C(=O)O
InChIInChI=1S/C27H29N3O9/c28-19(25(33)34)9-13-1-4-16(5-2-13)39-23-12-15(11-21(30)27(37)38)8-18(24(23)32)17-7-14(3-6-22(17)31)10-20(29)26(35)36/h1-8,12,19-21,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)
InChIKeyYLKSMWKXSSBSNR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
Pulcherosine (CHEBI:193903) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
2-amino-3-[4-[5-(2-amino-2-carboxyethyl)-3-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acid
Manual XrefsDatabases
HMDB0040703HMDB
110806ChemSpider
Registry NumbersSources
CAS:126723-16-8ChemIDplus