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CHEBI:204901 - Grabetaypeptolide G

ChEBI IDCHEBI:204901
ChEBI NameGrabetaypeptolide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H77N9O9S2
Net Charge0
Average Mass1120.453
Monoisotopic Mass1119.52857
SMILESCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)C2CSC(=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
InChIInChI=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
InChIKeyULECEIQKIPOQCI-GENNVTPMSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (21806011)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Grabetaypeptolide G (CHEBI:204901) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R,5R,9R,12S,18S,21S,24R,25R,28S,31R)-9,21,31-tribenzyl-2,10,19,24,25,32-hexamethyl-18,28-di(propan-2-yl)-22-oxa-7,36-dithia-3,10,16,19,26,29,32,37,38-nonazatetracyclo[32.2.1.15,8.012,16]octatriaconta-1(37),8(38)-diene-4,11,17,20,23,27,30,33-octone
Manual XrefsDatabases
78440202ChemSpider