CHEBI:69193 - Grassypeptolide F

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ChEBI Name Grassypeptolide F
ChEBI ID CHEBI:69193
Definition A natural product found in Lyngbya majuscula.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C60H79N9O9S2
Net Charge 0
Average Mass 1134.45400
Monoisotopic Mass 1133.54422
InChI InChI=1S/C60H79N9O9S2/c1-11-42-54-64-44(34-79-54)56(73)66(8)46(30-39-22-15-12-16-23-39)52(71)65-49(35(2)3)53(72)61-38(7)37(6)60(77)78-48(32-41-26-19-14-20-27-41)58(75)68(10)50(36(4)5)59(76)69-29-21-28-45(69)57(74)67(9)47(31-40-24-17-13-18-25-40)55-63-43(33-80-55)51(70)62-42/h12-20,22-27,35-38,42-50H,11,21,28-34H2,1-10H3,(H,61,72)(H,62,70)(H,65,71)/t37-,38-,42-,43+,44+,45+,46-,47-,48+,49-,50+/m1/s1
InChIKey OMAHHNNQYKBGML-REKYTSBZSA-N
SMILES CC[C@H]1NC(=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)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CSC1=N2)C(C)C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) 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 Grassypeptolide F (CHEBI:69193) has role metabolite (CHEBI:25212)
Grassypeptolide F (CHEBI:69193) is a cyclodepsipeptide (CHEBI:35213)
Synonym Source
(2R,5R,9R,12S,18S,21S,24R,25R,28R,31R,34R)-9,21,31-Tribenzyl-2-ethyl-18,28-diisopropyl-10,19,24,25,32-pentamethyl-22-oxa-7,36-dithia-3,10,16,19,26,29,32,37,38-nonaazatetracyclo[32.2.1.[15,8].0[12,16]] octatriaconta-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);