Pyloricidin A1 (CHEBI:198393)

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CHEBI:198393 - Pyloricidin A1

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ChEBI ID	CHEBI:198393
ChEBI Name	Pyloricidin A1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H53N5O10
Net Charge	0
Average Mass	667.801
Monoisotopic Mass	667.37924
SMILES	CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(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
InChI	InChI=1S/C32H53N5O10/c1-7-18(6)25(37-30(45)24(33)17(4)5)31(46)35-21(13-16(2)3)29(44)36-22(15-38)26(41)27(42)28(43)32(47)34-20(14-23(39)40)19-11-9-8-10-12-19/h8-12,16-18,20-22,24-28,38,41-43H,7,13-15,33H2,1-6H3,(H,34,47)(H,35,46)(H,36,44)(H,37,45)(H,39,40)/t18-,20+,21-,22+,24-,25-,26-,27-,28+/m0/s1
InChIKey	GCTBIAPBXCZZKV-JKIMWYTHSA-N

Species of Metabolite	Component	Source	Comments
Bacillusspecies (in: firmicutes) (ncbitaxon:1409)	-	PubMed (11827035)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Pyloricidin A1 (CHEBI:198393) is a peptide (CHEBI:16670)

IUPAC Name
(3R)-3-[[(2R,3S,4S,5R)-5-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid

Manual Xrefs	Databases
78436353	ChemSpider