CHEBI:198778 - Lyngbyabellin C

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ChEBI Name Lyngbyabellin C
ChEBI ID CHEBI:198778
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H30Cl2N2O8S2
Net Charge 0
Average Mass 609.530
Monoisotopic Mass 608.08206
InChI InChI=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
InChIKey OVRPLXYGNATYDY-UHFFFAOYSA-N
SMILES ClC(Cl)(CCCC1OC(=O)C=2N=C(C(O)COC(C=3N=C(C(OC(C1C)=O)C(O)(CC)C)SC3)=O)SC2)C
Metabolite of Species Details
Cyanobacterium (NCBI:txid102234) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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
Manual Xref Database
9257758 ChemSpider
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