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CHEBI:224529 - Xentrivalpeptide L

ChEBI IDCHEBI:224529
ChEBI NameXentrivalpeptide L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H67N7O9
Net Charge0
Average Mass826.049
Monoisotopic Mass825.50003
SMILESCC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C43H67N7O9/c1-22(2)20-29-42(57)50-19-15-18-30(50)37(52)46-33(24(5)6)39(54)47-34(25(7)8)40(55)48-35(26(9)10)43(58)59-27(11)36(41(56)44-29)49-38(53)32(23(3)4)45-31(51)21-28-16-13-12-14-17-28/h12-14,16-17,22-27,29-30,32-36H,15,18-21H2,1-11H3,(H,44,56)(H,45,51)(H,46,52)(H,47,54)(H,48,55)(H,49,53)/t27-,29-,30+,32+,33+,34+,35+,36+/m1/s1
InChIKeyRSWKXBQPPHRRRM-STDQDTGYSA-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 L (CHEBI:224529) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-3-methyl-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]-2-[(2-phenylacetyl)amino]butanamide
Manual XrefsDatabases
78440305ChemSpider