YF-044-P-D (CHEBI:198030)

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CHEBI:198030 - YF-044-P-D

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ChEBI ID	CHEBI:198030
ChEBI Name	YF-044-P-D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C43H57N5O9
Net Charge	0
Average Mass	787.955
Monoisotopic Mass	787.41563
SMILES	CC(NC(=O)CC(O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)Cc1ccccc1)C(C)C)C(C)C)C(=O)NC(Cc1ccccc1)C(O)CC(=O)O
InChI	InChI=1S/C43H57N5O9/c1-26(2)39(47-36(51)23-31-19-13-8-14-20-31)43(57)48-40(27(3)4)42(56)46-32(21-29-15-9-6-10-16-29)34(49)24-37(52)44-28(5)41(55)45-33(35(50)25-38(53)54)22-30-17-11-7-12-18-30/h6-20,26-28,32-35,39-40,49-50H,21-25H2,1-5H3,(H,44,52)(H,45,55)(H,46,56)(H,47,51)(H,48,57)(H,53,54)
InChIKey	AQRATHKYNQIHRE-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (8040057)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	YF-044-P-D (CHEBI:198030) is a peptide (CHEBI:16670)

IUPAC Name
3-hydroxy-4-[2-[[3-hydroxy-4-[[3-methyl-2-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]butanoyl]amino]-5-phenylpentanoyl]amino]propanoylamino]-5-phenylpentanoic acid

Manual Xrefs	Databases
165805	ChemSpider