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CHEBI:217574 - Xentrivalpeptide Q

ChEBI IDCHEBI:217574
ChEBI NameXentrivalpeptide Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H56N6O8
Net Charge0
Average Mass760.933
Monoisotopic Mass760.41596
SMILESCC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
InChIInChI=1S/C41H56N6O8/c1-23(2)32(43-31(48)22-28-17-12-9-13-18-28)37(50)46-35-26(7)55-41(54)34(25(5)6)45-38(51)33(24(3)4)44-36(49)30-19-14-20-47(30)40(53)29(42-39(35)52)21-27-15-10-8-11-16-27/h8-13,15-18,23-26,29-30,32-35H,14,19-22H2,1-7H3,(H,42,52)(H,43,48)(H,44,49)(H,45,51)(H,46,50)/t26-,29-,30+,32+,33+,34+,35+/m1/s1
InChIKeyYWUBVNCUPVUHIM-XUVVMBSTSA-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 Q (CHEBI:217574) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-N-[(3R,6S,7R,10S,13S,16S)-3-benzyl-7-methyl-2,5,9,12,15-pentaoxo-10,13-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
Manual XrefsDatabases
78440499ChemSpider