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CHEBI:199713 - Grabetaypeptolide F

ChEBI IDCHEBI:199713
ChEBI NameGrabetaypeptolide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H79N9O9S2
Net Charge0
Average Mass1134.480
Monoisotopic Mass1133.54422
SMILESCC[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](C(C)C)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)C2CSC1=N2
InChIInChI=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
InChIKeyOMAHHNNQYKBGML-XCCIRJLLSA-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 F (CHEBI:199713) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R,5R,9R,12S,18S,21S,24R,25R,28S,31R)-9,21,31-tribenzyl-2-ethyl-10,19,24,25,32-pentamethyl-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
78440056ChemSpider