EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200670 - Xentrivalpeptide K

ChEBI IDCHEBI:200670
ChEBI NameXentrivalpeptide K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H69N7O9
Net Charge0
Average Mass792.032
Monoisotopic Mass791.51568
SMILESCC(C)CC(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(C)C
InChIInChI=1S/C40H69N7O9/c1-19(2)17-26-39(54)47-16-14-15-27(47)34(49)43-30(22(7)8)36(51)44-31(23(9)10)37(52)45-32(24(11)12)40(55)56-25(13)33(38(53)41-26)46-35(50)29(21(5)6)42-28(48)18-20(3)4/h19-27,29-33H,14-18H2,1-13H3,(H,41,53)(H,42,48)(H,43,49)(H,44,51)(H,45,52)(H,46,50)/t25-,26-,27+,29+,30+,31+,32+,33+/m1/s1
InChIKeyDXXIHWNZUSUGGO-YIAFOGTESA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus (ncbitaxon:626) - PubMed (23025386)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Xentrivalpeptide K (CHEBI:200670) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-3-methyl-2-(3-methylbutanoylamino)-N-[(3R,6S,7R,10S,13S,16S,19S)-7-methyl-3-(2-methylpropyl)-2,5,9,12,15,18-hexaoxo-10,13,16-tri(propan-2-yl)-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]butanamide
Manual XrefsDatabases
78440086ChemSpider