Pyloricidin B (CHEBI:212138)

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CHEBI:212138 - Pyloricidin B

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ChEBI ID	CHEBI:212138
ChEBI Name	Pyloricidin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H42N4O9
Net Charge	0
Average Mass	554.641
Monoisotopic Mass	554.29518
SMILES	CC(C)C[C@H](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
InChI	InChI=1S/C26H42N4O9/c1-13(2)10-17(29-25(38)20(27)14(3)4)24(37)30-18(12-31)21(34)22(35)23(36)26(39)28-16(11-19(32)33)15-8-6-5-7-9-15/h5-9,13-14,16-18,20-23,31,34-36H,10-12,27H2,1-4H3,(H,28,39)(H,29,38)(H,30,37)(H,32,33)/t16-,17+,18-,20+,21+,22+,23-/m1/s1
InChIKey	RQPIUFLNFUDVAY-CRTOORPBSA-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 B (CHEBI:212138) is a peptide (CHEBI:16670)

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

Manual Xrefs	Databases
78437998	ChemSpider