WB-3559 D (CHEBI:216750)

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CHEBI:216750 - WB-3559 D

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ChEBI ID	CHEBI:216750
ChEBI Name	WB-3559 D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H70N2O7
Net Charge	0
Average Mass	654.974
Monoisotopic Mass	654.51830
SMILES	CC(C)CCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCC(C)C)CC(=O)NCC(=O)N[C@@H](CO)C(=O)O
InChI	InChI=1S/C37H70N2O7/c1-30(2)23-19-15-11-7-5-9-13-17-21-25-32(27-34(41)38-28-35(42)39-33(29-40)37(44)45)46-36(43)26-22-18-14-10-6-8-12-16-20-24-31(3)4/h30-33,40H,5-29H2,1-4H3,(H,38,41)(H,39,42)(H,44,45)/t32-,33+/m1/s1
InChIKey	DZKPDDDIBSEKLY-SAIUNTKASA-N

Species of Metabolite	Component	Source	Comments
Flavobacterium (ncbitaxon:237)	-	PubMed (4006031)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	WB-3559 D (CHEBI:216750) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-3-hydroxy-2-[[2-[[(3R)-15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]acetyl]amino]propanoic acid

Manual Xrefs	Databases
111948	ChemSpider