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CHEBI:197648 - Syringolin H

ChEBI IDCHEBI:197648
ChEBI NameSyringolin H
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FormulaC25H43N5O6
Net Charge0
Average Mass509.648
Monoisotopic Mass509.32133
SMILESCC[C@H](C)[C@H](NC(=O)N[C@H](C(=O)O)C(C)C)C(=O)N[C@H]1CCCCNC(=O)/C=C\[C@H](C(C)C)NC1=O
InChIInChI=1S/C25H43N5O6/c1-7-16(6)21(30-25(36)29-20(15(4)5)24(34)35)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-/t16-,17+,18-,20-,21-/m0/s1
InChIKeyJDUWTSDCUGIYCU-YRZFNRGWSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas syringae (ncbitaxon:317) - PubMed (22851214)
ChEBI Ontology
Outgoing Relation(s)
Syringolin H (CHEBI:197648) is a valine derivative (CHEBI:27267)
IUPAC Name 
(2S)-2-[[(2S,3S)-1-[[(3Z,5S,8S)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododec-3-en-8-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoylamino]-3-methylbutanoic acid
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