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CHEBI:211027 - Pyloricidin A

ChEBI IDCHEBI:211027
ChEBI NamePyloricidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H51N5O10
Net Charge0
Average Mass653.774
Monoisotopic Mass653.36359
SMILESCC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)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/C31H51N5O10/c1-15(2)12-20(34-30(45)24(17(5)6)36-29(44)23(32)16(3)4)28(43)35-21(14-37)25(40)26(41)27(42)31(46)33-19(13-22(38)39)18-10-8-7-9-11-18/h7-11,15-17,19-21,23-27,37,40-42H,12-14,32H2,1-6H3,(H,33,46)(H,34,45)(H,35,43)(H,36,44)(H,38,39)/t19-,20+,21-,23+,24+,25+,26+,27-/m1/s1
InChIKeyWDNOOPOWGWWJRB-GEHIXKENSA-N
Species of MetaboliteComponentSourceComments
Bacillusspecies (in: firmicutes) (ncbitaxon:1409) - PubMed (11827035)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pyloricidin A (CHEBI:211027) is a peptide (CHEBI:16670)
IUPAC Name 
(3R)-3-[[(2R,3S,4S,5R)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
Manual XrefsDatabases
78438505ChemSpider