EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222419 - Pyloricidin A2

ChEBI IDCHEBI:222419
ChEBI NamePyloricidin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H53N5O10
Net Charge0
Average Mass667.801
Monoisotopic Mass667.37924
SMILESCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)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/C32H53N5O10/c1-16(2)12-21(35-29(44)22(13-17(3)4)36-31(46)25(33)18(5)6)30(45)37-23(15-38)26(41)27(42)28(43)32(47)34-20(14-24(39)40)19-10-8-7-9-11-19/h7-11,16-18,20-23,25-28,38,41-43H,12-15,33H2,1-6H3,(H,34,47)(H,35,44)(H,36,46)(H,37,45)(H,39,40)/t20-,21+,22+,23-,25+,26+,27+,28-/m1/s1
InChIKeyOSCGRQUBTJHTHZ-LOMMUDGKSA-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 A2 (CHEBI:222419) is a peptide (CHEBI:16670)
IUPAC Name 
(3R)-3-[[(2R,3S,4S,5R)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
Manual XrefsDatabases
78437702ChemSpider