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CHEBI:210034 - Xentrivalpeptide G

ChEBI IDCHEBI:210034
ChEBI NameXentrivalpeptide G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H69N7O9
Net Charge0
Average Mass840.076
Monoisotopic Mass839.51568
SMILESCCCCCC(=O)N[C@H](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)N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(C)C
InChIInChI=1S/C44H69N7O9/c1-11-12-14-21-32(52)46-33(24(2)3)39(54)50-37-28(10)60-44(59)36(27(8)9)49-41(56)35(26(6)7)48-40(55)34(25(4)5)47-38(53)31-20-17-22-51(31)43(58)30(45-42(37)57)23-29-18-15-13-16-19-29/h13,15-16,18-19,24-28,30-31,33-37H,11-12,14,17,20-23H2,1-10H3,(H,45,57)(H,46,52)(H,47,53)(H,48,55)(H,49,56)(H,50,54)/t28-,30-,31+,33+,34+,35+,36+,37+/m1/s1
InChIKeyBYVHKWDZPAJYCQ-RXKQDGNHSA-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 G (CHEBI:210034) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(2S)-1-[[(3R,6S,7R,10S,13S,16S,19S)-3-benzyl-7-methyl-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]amino]-3-methyl-1-oxobutan-2-yl]hexanamide
Manual XrefsDatabases
78440354ChemSpider