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CHEBI:198635 - Lyngbyabellin B

ChEBI IDCHEBI:198635
ChEBI NameLyngbyabellin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38Cl2N4O7S2
Net Charge0
Average Mass677.673
Monoisotopic Mass676.15590
SMILESCC(C)[C@@H]1NC(=O)CNC(=O)c2csc(n2)[C@H](C(C)(C)O)OC(=O)C(C)(C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc1n2
InChIInChI=1S/C28H38Cl2N4O7S2/c1-14(2)19-22-33-16(13-42-22)24(37)40-17(9-8-10-28(7,29)30)26(3,4)25(38)41-20(27(5,6)39)23-32-15(12-43-23)21(36)31-11-18(35)34-19/h12-14,17,19-20,39H,8-11H2,1-7H3,(H,31,36)(H,34,35)/t17-,19-,20+/m0/s1
InChIKeyAFYNXSMIBRNBEB-YSIASYRMSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (11076574)
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 B (CHEBI:198635) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(7S,14S,18S)-14-(4,4-dichloropentyl)-18-(2-hydroxypropan-2-yl)-15,15-dimethyl-7-propan-2-yl-13,17-dioxa-9,20-dithia-3,6,22,23-tetrazatricyclo[17.2.1.18,11]tricosa-1(21),8(23),10,19(22)-tetraene-2,5,12,16-tetrone
Manual XrefsDatabases
78439585ChemSpider