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CHEBI:198778 - Lyngbyabellin C

ChEBI IDCHEBI:198778
ChEBI NameLyngbyabellin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30Cl2N2O8S2
Net Charge0
Average Mass609.550
Monoisotopic Mass608.08206
SMILESCCC(C)(O)C1OC(=O)C(C)C(CCCC(C)(Cl)Cl)OC(=O)c2csc(n2)C(O)COC(=O)c2csc1n2
InChIInChI=1S/C24H30Cl2N2O8S2/c1-5-23(3,33)17-19-28-13(10-38-19)21(31)34-9-15(29)18-27-14(11-37-18)22(32)35-16(12(2)20(30)36-17)7-6-8-24(4,25)26/h10-12,15-17,29,33H,5-9H2,1-4H3
InChIKeyOVRPLXYGNATYDY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/s0040-4020(02)00895-5)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lyngbyabellin C (CHEBI:198778) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
12-(4,4-dichloropentyl)-5-hydroxy-16-(2-hydroxybutan-2-yl)-13-methyl-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.16,9]henicosa-1(19),6(21),8,17(20)-tetraene-2,10,14-trione
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9257758ChemSpider