CHEBI:211768 - Lyngbyabellin G

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lyngbyabellin G
ChEBI ID CHEBI:211768
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H28Cl2N2O8S2
Net Charge 0
Average Mass 595.500
Monoisotopic Mass 594.06641
InChI InChI=1S/C23H28Cl2N2O8S2/c1-11-15(6-5-7-23(4,24)25)34-21(31)13-10-36-17(26-13)14(28)8-33-20(30)12-9-37-18(27-12)16(22(2,3)32)35-19(11)29/h9-11,14-16,28,32H,5-8H2,1-4H3/t11-,14+,15-,16+/m0/s1
InChIKey HPCFVGQULNKVOH-BJKJVOPESA-N
SMILES ClC(Cl)(CCC[C@@H]1OC(=O)C=2N=C([C@H](O)COC(C=3N=C([C@@H](OC([C@H]1C)=O)C(O)(C)C)SC3)=O)SC2)C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) 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 G (CHEBI:211768) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(5R,12S,13S,16S)-12-(4,4-dichloropentyl)-5-hydroxy-16-(2-hydroxypropan-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
9874655 ChemSpider
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