Looekeyolide A (CHEBI:222842)

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CHEBI:222842 - Looekeyolide A

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ChEBI ID	CHEBI:222842
ChEBI Name	Looekeyolide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H57NO11S
Net Charge	0
Average Mass	663.871
Monoisotopic Mass	663.36523
SMILES	CCC[C@H]1OC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCSC)OC(=O)C[C@H](OC)[C@H](C)[C@H]2C[C@@H](OC)[C@@](C)(O)[C@@](O)(C[C@@H](O)[C@@H]1C)O2
InChI	InChI=1S/C32H57NO11S/c1-10-11-23-19(4)22(34)17-32(39)31(6,38)27(41-8)15-26(44-32)20(5)25(40-7)16-28(35)42-24(12-13-45-9)29(36)33-21(14-18(2)3)30(37)43-23/h18-27,34,38-39H,10-17H2,1-9H3,(H,33,36)/t19-,20-,21+,22+,23+,24-,25-,26+,27+,31+,32+/m0/s1
InChIKey	XFENGRLEXFEMMP-XQOJDCRESA-N

Species of Metabolite	Component	Source	Comments
Roseofilum reptotaenium (ncbitaxon:1233427)	-	PubMed (30636420)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Looekeyolide A (CHEBI:222842) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(1R,2S,3S,7S,10R,13R,14S,15R,17R,18R,19R)-15,17,18-trihydroxy-3,19-dimethoxy-2,14,18-trimethyl-10-(2-methylpropyl)-7-(2-methylsulanylethyl)-13-propyl-6,12,21-trioxa-9-azabicyclo[15.3.1]henicosane-5,8,11-trione

Manual Xrefs	Databases
71115993	ChemSpider