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CHEBI:212452 - Pyloricidin C

ChEBI IDCHEBI:212452
ChEBI NamePyloricidin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H33N3O8
Net Charge0
Average Mass455.508
Monoisotopic Mass455.22677
SMILESCC(C)C[C@H](N)C(=O)N[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)C(=O)N[C@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C21H33N3O8/c1-11(2)8-13(22)20(31)24-15(10-25)17(28)18(29)19(30)21(32)23-14(9-16(26)27)12-6-4-3-5-7-12/h3-7,11,13-15,17-19,25,28-30H,8-10,22H2,1-2H3,(H,23,32)(H,24,31)(H,26,27)/t13-,14+,15+,17-,18-,19+/m0/s1
InChIKeyPSSAPTMCCOBBEJ-ZXPQYSFNSA-N
Species of MetaboliteComponentSourceComments
Bacillusspecies (in: firmicutes) (ncbitaxon:1409) - PubMed (11827035)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pyloricidin C (CHEBI:212452) is a benzenes (CHEBI:22712)
Pyloricidin C (CHEBI:212452) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
(3R)-3-[[(2R,3S,4S,5R)-5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
Manual XrefsDatabases
78438546ChemSpider