EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189347 - Namalide C

ChEBI IDCHEBI:189347
ChEBI NameNamalide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H43N5O7
Net Charge0
Average Mass561.680
Monoisotopic Mass561.31625
SMILESCC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC1=O)C(=O)O
InChIInChI=1S/C28H43N5O7/c1-5-17(4)23(27(38)39)33-28(40)31-20-8-6-7-15-29-24(35)21(14-11-18-9-12-19(34)13-10-18)30-26(37)22(16(2)3)32-25(20)36/h9-10,12-13,16-17,20-23,34H,5-8,11,14-15H2,1-4H3,(H,29,35)(H,30,37)(H,32,36)(H,38,39)(H2,31,33,40)/t17-,20-,21+,22+,23+/m1/s1
InChIKeyVYCMKIJKBUVUBL-KJWUJUMESA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Namalide C (CHEBI:189347) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2S,3R)-2-[[(3S,6S,9R)-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
Manual XrefsDatabases
78438999ChemSpider