CHEBI:68053 - Lithothamnin A

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ChEBI Name Lithothamnin A
ChEBI ID CHEBI:68053
Definition A natural product found in Lithothamnion fragilissimum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H27Br5N4O10
Net Charge 0
Average Mass 1051.11900
Monoisotopic Mass 1045.76441
InChI InChI=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+
InChIKey ZFSTWMBDMZIGJR-GXABEWBWSA-N
SMILES O\N=C1/Cc2cc(Br)c(O)c(Oc3c(Br)cc(O)c(C\C(=N/O)C(=O)NCCc4cc(Br)c(Oc5cc(CCNC1=O)cc(Br)c5O)cc4O)c3Br)c2
Metabolite of Species Details
Lithothamnion fragilissimum (NCBI:txid48598) CH2Cl2-MeOH extract of lyophilized, ground(in presence of dry ice),aqueous extract of frozen alga See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-dione ChEBI
Citation Waiting for Citations Type Source
21488653 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:aromatic ether(CHEBI:35618); ISA:bromophenol(CHEBI:33624); ISA:organobromine compound(CHEBI:37141); ISA:aralkylamine(CHEBI:18000); ISA:lactam(CHEBI:24995); ISA:ketimine(CHEBI:33272); ISA:polyol(CHEBI:26191); ISA:carboxamide(CHEBI:37622); ISA:carboxylic acid(CHEBI:33575); ISA:oxime(CHEBI:25750); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);