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CHEBI:68053 - Lithothamnin A

ChEBI IDCHEBI:68053
ChEBI NameLithothamnin A
Stars
DefinitionA natural product found in Lithothamnion fragilissimum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC34H27Br5N4O10
Net Charge0
Average Mass1051.128
Monoisotopic Mass1045.76440
SMILESO=C1NCCc2cc(Br)c(O)c(c2)Oc2cc(O)c(cc2Br)CCNC(=O)/C(=N/O)Cc2c(O)cc(Br)c(c2Br)Oc2cc(cc(Br)c2O)C/C1=N\O
InChIInChI=1S/C34H27Br5N4O10/c35-18-10-16-2-4-41-34(49)23(43-51)11-17-25(45)12-21(38)32(29(17)39)53-28-9-15(6-20(37)31(28)47)7-22(42-50)33(48)40-3-1-14-5-19(36)30(46)27(8-14)52-26(18)13-24(16)44/h5-6,8-10,12-13,44-47,50-51H,1-4,7,11H2,(H,40,48)(H,41,49)/b42-22+,43-23+
InChIKeyZFSTWMBDMZIGJR-GXABEWBWSA-N
Species of MetaboliteComponentSourceComments
Lithothamnion fragilissimum (ncbitaxon:48598) - PubMed (21488653) CH2Cl2-MeOH extract of lyophilized, ground(in presence of dry ice),aqueous extract of frozen alga
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Lithothamnin A (CHEBI:68053) has role metabolite (CHEBI:25212)
Lithothamnin A (CHEBI:68053) is a azamacrocycle (CHEBI:52898)
Lithothamnin A (CHEBI:68053) is a lactam (CHEBI:24995)
Synonym  Source
(12E,26E)-5,16,21,34,36-Pentabromo-4,17,23,32-tetrahydroxy-12,26-bis(hydroxyimino)-2,19-dioxa-10,28-diazapentacyclo[29.2.2.1[3,7].1[14,18].1[20,24]]octatriaconta-1(33),3(38),4,6,14(37),15,17,20(36),21 ,23,31,34-dodecaene-11,27-dioneChEBI
Citations