Pontifactin (CHEBI:228061)

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CHEBI:228061 - Pontifactin

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ChEBI ID	CHEBI:228061
ChEBI Name	Pontifactin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H61N5O12
Net Charge	0
Average Mass	731.885
Monoisotopic Mass	731.43167
SMILES	CCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CO)C(=O)NC(CO)C(=O)O)C(C)C
InChI	InChI=1S/C34H61N5O12/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(43)35-24(19-40)31(47)36-23(18-28(44)45)30(46)39-29(22(2)3)33(49)37-25(20-41)32(48)38-26(21-42)34(50)51/h22-26,29,40-42H,4-21H2,1-3H3,(H,35,43)(H,36,47)(H,37,49)(H,38,48)(H,39,46)(H,44,45)(H,50,51)
InChIKey	ZYCUXKWVDGQRGH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Pontibacter (ncbitaxon:323449)	-	DOI (10.1016/j.procbio.2016.09.009)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Pontifactin (CHEBI:228061) is a peptide (CHEBI:16670)

IUPAC Name
4-[[1-[[1-[(1-carboxy-2-hydroxyethyl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-[[2-(hexadecanoylamino)-3-hydroxypropanoyl]amino]-4-oxobutanoic acid

Manual Xrefs	Databases
60597174	ChemSpider