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CHEBI:64377 - emericellamide E

ChEBI IDCHEBI:64377
ChEBI Nameemericellamide E
Stars
DefinitionAn emericellamide derived from N-[(2R,3R)-3-hydroxy-2-methyldodecanoyl]glycyl-L-valyl-L-leucyl-L-alanyl-L-alanine by the formal intramolecular condensation of the alcoholic hydroxy group with the C-terminal carboxylic acid group.
Last Modified18 April 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H57N5O7
Net Charge0
Average Mass623.836
Monoisotopic Mass623.42580
SMILESCCCCCCCCC[C@H]1OC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]1C
InChIInChI=1S/C32H57N5O7/c1-9-10-11-12-13-14-15-16-25-21(6)28(39)33-18-26(38)37-27(20(4)5)31(42)36-24(17-19(2)3)30(41)34-22(7)29(40)35-23(8)32(43)44-25/h19-25,27H,9-18H2,1-8H3,(H,33,39)(H,34,41)(H,35,40)(H,36,42)(H,37,38)/t21-,22+,23+,24+,25-,27+/m1/s1
InChIKeyQMLMSNGIBMIZIY-UTFDQXCASA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
emericellamide E (CHEBI:64377) is a emericellamide (CHEBI:64372)
IUPAC Name 
(3S,6S,9S,12S,18R,19R)-3,6,18-trimethyl-9-(2-methylpropyl)-19-nonyl-12-(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadecane-2,5,8,11,14,17-hexone
Citations