Prunustatin A (CHEBI:189169)

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CHEBI:189169 - Prunustatin A

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ChEBI ID	CHEBI:189169
ChEBI Name	Prunustatin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H40N2O12
Net Charge	0
Average Mass	668.696
Monoisotopic Mass	668.25812
SMILES	CCC(C)C1OC(=O)C(C)(C)C(=O)C(Cc2ccccc2)OC(=O)C(C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC1=O
InChI	InChI=1S/C34H40N2O12/c1-7-18(2)27-32(43)45-19(3)25(36-29(40)22-14-11-15-23(26(22)38)35-17-37)31(42)46-20(4)30(41)47-24(16-21-12-9-8-10-13-21)28(39)34(5,6)33(44)48-27/h8-15,17-20,24-25,27,38H,7,16H2,1-6H3,(H,35,37)(H,36,40)
InChIKey	OJJRBQCVHDXSPQ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Arabidopsis thaliana (ncbitaxon:3702)	leaf (BTO:0000713)	MetaboLights (MTBLS3997)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Prunustatin A (CHEBI:189169) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
N-(15-benzyl-10-butan-2-yl-3,7,13,13-tetramethyl-2,5,9,12,14-pentaoxo-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-ormamido-2-hydroxybenzamide

Manual Xrefs	Databases
9529297	ChemSpider