CHEBI:69194 - Grassypeptolide G

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ChEBI Name Grassypeptolide G
ChEBI ID CHEBI:69194
Definition A natural product found in Lyngbya majuscula.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C59H77N9O9S2
Net Charge 0
Average Mass 1120.42800
Monoisotopic Mass 1119.529
InChI InChI=1S/C59H77N9O9S2/c1-34(2)48-52(71)60-37(6)36(5)59(76)77-47(31-41-25-18-13-19-26-41)57(74)67(10)49(35(3)4)58(75)68-28-20-27-44(68)56(73)66(9)46(30-40-23-16-12-17-24-40)54-62-42(32-79-54)50(69)61-38(7)53-63-43(33-78-53)55(72)65(8)45(51(70)64-48)29-39-21-14-11-15-22-39/h11-19,21-26,34-38,42-49H,20,27-33H2,1-10H3,(H,60,71)(H,61,69)(H,64,70)/t36-,37-,38-,42+,43+,44+,45-,46-,47+,48-,49+/m1/s1
InChIKey ULECEIQKIPOQCI-PEUUUMOWSA-N
SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CSC(=N2)[C@@H](C)NC(=O)[C@@H]2CSC(=N2)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC1=O
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) 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 Grassypeptolide G (CHEBI:69194) has role metabolite (CHEBI:25212)
Grassypeptolide G (CHEBI:69194) is a cyclodepsipeptide (CHEBI:35213)
Synonym Source
(2R,5R,9R,12S,18S,21S,24R,25R,28R,31R,34R)-9,21,31-Tribenzyl-18,28-diisopropyl-2,10,19,24,25,32-hexamethyl-22-oxa-7,36-dithia-3,10,16,19,26,29,32,37,38-nonaazatetracyclo[32.2.1.[15,8].0[12,16]]octatri aconta-1(37),8(38)-diene-4,11,17,20,23,27,30,33-octone ChEBI
Citation Waiting for Citations Type Source
21806011 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:organonitrogen compound(CHEBI:35352); ISA:organosulfur compound(CHEBI:33261); ISA:heterocyclic compound(CHEBI:5686); ISA:benzenes(CHEBI:22712); ISA:pyrrolidines(CHEBI:38260); ISA:carboxamide(CHEBI:37622); ISA:thiazoles(CHEBI:48901); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary amine(CHEBI:32876); ISA:lactone(CHEBI:25000); ISA:ether(CHEBI:25698); ISA:carboxylic acid(CHEBI:33575); ISA:dipolar compound(CHEBI:51151); ISA:organic sulfide(CHEBI:16385); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);