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CHEBI:69191 - Ibu-epidemethoxylyngbyastatin 3

ChEBI IDCHEBI:69191
ChEBI NameIbu-epidemethoxylyngbyastatin 3
Stars
DefinitionA natural product found in Leptolyngbya species RS03.
Last Modified22 September 2014
DownloadsMolfile
FormulaC51H82N8O11
Net Charge0
Average Mass983.262
Monoisotopic Mass982.61031
SMILESCCC[C@H]1NC(=O)[C@H](C)N(C)C(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H]1C
InChIInChI=1S/C51H82N8O11/c1-17-22-36-32(8)49(68)70-42(31(7)18-2)47(66)53-27-39(60)57(14)37(25-29(3)4)45(64)52-28-40(61)59(16)41(30(5)6)48(67)58(15)38(26-35-23-20-19-21-24-35)46(65)54-33(9)43(62)51(11,12)50(69)56(13)34(10)44(63)55-36/h19-21,23-24,29-34,36-38,41-42H,17-18,22,25-28H2,1-16H3,(H,52,64)(H,53,66)(H,54,65)(H,55,63)/t31-,32-,33-,34-,36+,37-,38-,41-,42-/m0/s1
InChIKeyIIRHRPDTNGFOSK-ONMSWCRESA-N
Species of MetaboliteComponentSourceComments
Leptolyngbya species RS03 (ncbitaxon:1009459) - PubMed (21806012) Crude organic extract of Leptolyngbya sp.RS03 collected from the Red Sea shipwreck SS Thistlegorm
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
Ibu-epidemethoxylyngbyastatin 3 (CHEBI:69191) has role metabolite (CHEBI:25212)
Ibu-epidemethoxylyngbyastatin 3 (CHEBI:69191) is a cyclodepsipeptide (CHEBI:35213)
Citations