EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219361 - Rhabdopeptide 4

ChEBI IDCHEBI:219361
ChEBI NameRhabdopeptide 4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H68N6O5
Net Charge0
Average Mass701.010
Monoisotopic Mass700.52512
SMILESCN[C@@H](C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](C(=O)N(C)[C@@H](C(=O)N(C)[C@@H](C(=O)NCCc1ccccc1)C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C39H68N6O5/c1-24(2)23-30(42(12)37(48)31(40-11)25(3)4)36(47)44(14)33(27(7)8)39(50)45(15)34(28(9)10)38(49)43(13)32(26(5)6)35(46)41-22-21-29-19-17-16-18-20-29/h16-20,24-28,30-34,40H,21-23H2,1-15H3,(H,41,46)/t30-,31-,32-,33-,34-/m1/s1
InChIKeyHBHJZHOBEKLHMW-SLXQPGMDSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus nematophila (ncbitaxon:628) - PubMed (24038745)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rhabdopeptide 4 (CHEBI:219361) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-N,4-dimethyl-2-[methyl-[(2R)-3-methyl-2-(methylamino)butanoyl]amino]-N-[(2R)-3-methyl-1-[methyl-[(2R)-3-methyl-1-[methyl-[(2R)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanamide
Manual XrefsDatabases
78442828ChemSpider