CHEBI:69189 - Grassypeptolide D

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ChEBI Name Grassypeptolide D
ChEBI ID CHEBI:69189
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 C57H81N9O10S2
Net Charge 0
Average Mass 1116.43700
Monoisotopic Mass 1115.555
InChI InChI=1S/C57H81N9O10S2/c1-13-39-49-59-40(30-77-49)51(70)63(10)42(27-32(2)3)47(68)61-45(36(8)67)48(69)58-35(7)34(6)55(74)76-44(29-38-23-18-15-19-24-38)53(72)65(12)46(33(4)5)54(73)66-26-20-25-41(66)52(71)64(11)43(28-37-21-16-14-17-22-37)50-62-57(9,31-78-50)56(75)60-39/h14-19,21-24,32-36,39-46,67H,13,20,25-31H2,1-12H3,(H,58,69)(H,60,75)(H,61,68)/t34-,35-,36-,39-,40+,41+,42-,43+,44+,45-,46+,57-/m1/s1
InChIKey FKVLMCJKLNRPEK-VLPKDPSOSA-N
SMILES CC[C@H]1NC(=O)[C@@]2(C)CSC(=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](CC(C)C)N(C)C(=O)[C@@H]2CSC1=N2)[C@@H](C)O
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 Grassypeptolide D (CHEBI:69189) has role metabolite (CHEBI:25212)
Grassypeptolide D (CHEBI:69189) is a cyclodepsipeptide (CHEBI:35213)
Synonym Source
(2R,5S,9S,12S,18S,21S,24R,25R,28R,31R,34R)-9,21-Dibenzyl-2-ethyl-28-[(1R)-1-hydroxyethyl]-31-isobutyl-18-isopropyl-5,10,19,24,25,32-hexamethyl-22-oxa-7,36-dithia-3,10,16,19,26,29,32,37,38-nonaazatetra cyclo[32.2.1.1[5,8].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
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:organonitrogen compound(CHEBI:35352); ISA:organosulfur compound(CHEBI:33261); ISA:heterocyclic compound(CHEBI:5686); ISA:benzenes(CHEBI:22712); ISA:amino alcohol(CHEBI:22478); ISA:pyrrolidines(CHEBI:38260); ISA:thiazoles(CHEBI:48901); ISA:carboxamide(CHEBI:37622); ISA:tertiary amine(CHEBI:32876); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000); ISA:carboxylic ester(CHEBI:33308); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698); ISA:organic sulfide(CHEBI:16385); ISA:dipolar compound(CHEBI:51151); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);