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CHEBI:64378 - emericellamide F

ChEBI IDCHEBI:64378
ChEBI Nameemericellamide F
Stars
DefinitionAn emericellamide derived from N-[(3S,4S)-3-hydroxy-4-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
SMILESCCCCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O1
InChIInChI=1S/C32H57N5O7/c1-9-10-11-12-13-14-15-21(6)25-17-26(38)33-18-27(39)37-28(20(4)5)31(42)36-24(16-19(2)3)30(41)34-22(7)29(40)35-23(8)32(43)44-25/h19-25,28H,9-18H2,1-8H3,(H,33,38)(H,34,41)(H,35,40)(H,36,42)(H,37,39)/t21-,22-,23-,24-,25-,28-/m0/s1
InChIKeyOXVQQJYFLIKNCC-ORUZXOCWSA-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 F (CHEBI:64378) is a emericellamide (CHEBI:64372)
IUPAC Name 
(3S,6S,9S,12S,19S)-19-[(2S)-decan-2-yl]-3,6-dimethyl-9-(2-methylpropyl)-12-(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadecane-2,5,8,11,14,17-hexone
Citations