CHEBI:69191 - Ibu-epidemethoxylyngbyastatin 3

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ChEBI Name Ibu-epidemethoxylyngbyastatin 3
ChEBI ID CHEBI:69191
Definition A natural product found in Leptolyngbya speciesRS03.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C51H82N8O11
Net Charge 0
Average Mass 983.24380
Monoisotopic Mass 982.61031
InChI InChI=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
InChIKey IIRHRPDTNGFOSK-ONMSWCRESA-N
SMILES CCC[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](OC(=O)[C@H]1C)[C@@H](C)CC
Metabolite of Species Details
Leptolyngbya sp.cies RS03 (NCBI:txid1009459) Crude organic extract of Leptolyngbya sp.RS03 collected from the Red Sea shipwreck SS Thistlegorm See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 Ibu-epidemethoxylyngbyastatin 3 (CHEBI:69191) has role metabolite (CHEBI:25212)
Ibu-epidemethoxylyngbyastatin 3 (CHEBI:69191) is a cyclodepsipeptide (CHEBI:35213)
Citation Waiting for Citations Type Source
21806012 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:macrolide(CHEBI:25106); ISA:lactam(CHEBI:24995); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:aralkylamine(CHEBI:18000); ISA:benzenes(CHEBI:22712); ISA:carboxamide(CHEBI:37622); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:cyclic ketone(CHEBI:3992); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:carboxylic acid(CHEBI:33575);