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CHEBI:64375 - emericellamide C

ChEBI IDCHEBI:64375
ChEBI Nameemericellamide C
Stars
DefinitionAn emericellamide derived from N-[(2R,3R)-3-hydroxy-2-methyldecanoyl]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
FormulaC30H53N5O7
Net Charge0
Average Mass595.782
Monoisotopic Mass595.39450
SMILESCCCCCCC[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/C30H53N5O7/c1-9-10-11-12-13-14-23-19(6)26(37)31-16-24(36)35-25(18(4)5)29(40)34-22(15-17(2)3)28(39)32-20(7)27(38)33-21(8)30(41)42-23/h17-23,25H,9-16H2,1-8H3,(H,31,37)(H,32,39)(H,33,38)(H,34,40)(H,35,36)/t19-,20+,21+,22+,23-,25+/m1/s1
InChIKeyUUMZIOKIWJGBCS-IDRTZAGBSA-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 C (CHEBI:64375) is a emericellamide (CHEBI:64372)
IUPAC Name 
(3S,6S,9S,12S,18R,19R)-19-heptyl-3,6,18-trimethyl-9-(2-methylpropyl)-12-(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadecane-2,5,8,11,14,17-hexone
Citations