WA8242 A2 (CHEBI:225621)

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CHEBI:225621 - WA8242 A2

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ChEBI ID	CHEBI:225621
ChEBI Name	WA8242 A2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H74N2O7
Net Charge	0
Average Mass	683.028
Monoisotopic Mass	682.54960
SMILES	CC(C)CCCCCCCCCCC[C@@H](CC(N)=O)OC(=O)[C@H](CCCC(=O)O)NC(=O)C[C@@H](O)CCCCCCCCCCC(C)C
InChI	InChI=1S/C39H74N2O7/c1-31(2)23-18-14-10-6-5-7-13-17-21-26-34(30-36(40)43)48-39(47)35(27-22-28-38(45)46)41-37(44)29-33(42)25-20-16-12-9-8-11-15-19-24-32(3)4/h31-35,42H,5-30H2,1-4H3,(H2,40,43)(H,41,44)(H,45,46)/t33-,34-,35-/m0/s1
InChIKey	MFXGXWREXQFLMA-IMKBVMFZSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (29193967)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	WA8242 A2 (CHEBI:225621) is a depsipeptide (CHEBI:23643)

IUPAC Name
(5S)-6-[(3S)-1-amino-15-methyl-1-oxohexadecan-3-yl]oxy-5-[[(3S)-3-hydroxy-14-methylpentadecanoyl]amino]-6-oxohexanoic acid

Manual Xrefs	Databases
8007098	ChemSpider