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CHEBI:69189 - Grassypeptolide D

ChEBI IDCHEBI:69189
ChEBI NameGrassypeptolide D
Stars
DefinitionA natural product found in Leptolyngbya species RS03.
Last Modified22 September 2014
DownloadsMolfile
FormulaC57H81N9O10S2
Net Charge0
Average Mass1116.462
Monoisotopic Mass1115.55478
SMILESCC[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]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CSC1=N2
InChIInChI=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
InChIKeyFKVLMCJKLNRPEK-VLPKDPSOSA-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)
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-octoneChEBI
Citations