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CHEBI:199585 - Syringolin E

ChEBI IDCHEBI:199585
ChEBI NameSyringolin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H43N5O6
Net Charge0
Average Mass509.648
Monoisotopic Mass509.32133
SMILESCCC(C)C(NC(=O)NC(C(=O)NC1CCCCNC(=O)/C=C\C(C(C)C)NC1=O)C(C)C)C(=O)O
InChIInChI=1S/C25H43N5O6/c1-7-16(6)21(24(34)35)30-25(36)29-20(15(4)5)23(33)28-18-10-8-9-13-26-19(31)12-11-17(14(2)3)27-22(18)32/h11-12,14-18,20-21H,7-10,13H2,1-6H3,(H,26,31)(H,27,32)(H,28,33)(H,34,35)(H2,29,30,36)/b12-11-
InChIKeyMVRGGCMKXHTGLM-QXMHVHEDSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas syringae (ncbitaxon:317) - DOI (10.1016/s0944-5013(99)80040-8)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Syringolin E (CHEBI:199585) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[[1-[[(3Z)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-3-en-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylpentanoic acid
Manual XrefsDatabases
78443916ChemSpider