WB-3559 A (CHEBI:211638)

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CHEBI:211638 - WB-3559 A

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ChEBI ID	CHEBI:211638
ChEBI Name	WB-3559 A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H66N2O7
Net Charge	0
Average Mass	638.931
Monoisotopic Mass	638.48700
SMILES	CC(C)CCCCCCC/C=C/CCC(=O)O[C@H](CCCCCCCCCCC(C)C)CC(=O)NCC(=O)N[C@@H](CO)C(=O)O
InChI	InChI=1S/C36H66N2O7/c1-29(2)22-18-14-10-6-5-7-13-17-21-25-35(42)45-31(24-20-16-12-9-8-11-15-19-23-30(3)4)26-33(40)37-27-34(41)38-32(28-39)36(43)44/h13,17,29-32,39H,5-12,14-16,18-28H2,1-4H3,(H,37,40)(H,38,41)(H,43,44)/b17-13+/t31-,32+/m1/s1
InChIKey	LVBXUDKEAOBSPR-DYITVEONSA-N

Species of Metabolite	Component	Source	Comments
Flavobacterium (ncbitaxon:237)	-	PubMed (4077726)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	WB-3559 A (CHEBI:211638) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-3-hydroxy-2-[[2-[[(3R)-14-methyl-3-[(E)-13-methyltetradec-4-enoyl]oxypentadecanoyl]amino]acetyl]amino]propanoic acid

Manual Xrefs	Databases
78437447	ChemSpider