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CHEBI:213630 - Syringolin B

ChEBI IDCHEBI:213630
ChEBI NameSyringolin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H41N5O6
Net Charge0
Average Mass495.621
Monoisotopic Mass495.30568
SMILESCC(C)C1/C=C\C(=O)NCCCCC(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C(C)C)C(=O)N1
InChIInChI=1S/C24H41N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h10-11,13-17,19-20H,7-9,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b11-10-
InChIKeyAIMDTYKFJMYVNG-KHPPLWFESA-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 B (CHEBI:213630) 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-methylbutanoic acid
Manual XrefsDatabases
78444410ChemSpider