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CHEBI:219351 - Microvionin

ChEBI IDCHEBI:219351
ChEBI NameMicrovionin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H78N12O10S
Net Charge0
Average Mass979.260
Monoisotopic Mass978.56846
SMILESCN=C(NC)NCCCCCCCCCCCCCCC(=O)NC(C)C(=O)NC1CC2(CS/C=C\NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC2=O)NC(=O)CNC(=O)C(CC(C)C)NC1=O
InChIInChI=1S/C45H78N12O10S/c1-29(2)24-32-39(63)51-26-37(61)57-45(28-68-23-22-49-40(64)34(27-58)55-41(65)31(56-43(45)67)19-20-35(46)59)25-33(42(66)53-32)54-38(62)30(3)52-36(60)18-16-14-12-10-8-6-7-9-11-13-15-17-21-50-44(47-4)48-5/h22-23,29-34,58H,6-21,24-28H2,1-5H3,(H2,46,59)(H,49,64)(H,51,63)(H,52,60)(H,53,66)(H,54,62)(H,55,65)(H,56,67)(H,57,61)(H2,47,48,50)/b23-22-
InChIKeyXATUQCHCLJEEGO-FCQUAONHSA-N
Species of MetaboliteComponentSourceComments
Microbacterium arborescens (ncbitaxon:33883) - PubMed (29915235)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microvionin (CHEBI:219351) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
N-[1-[[(20Z)-14-(3-amino-3-oxopropyl)-17-(hydroxymethyl)-6-(2-methylpropyl)-2,5,8,12,15,18-hexaoxo-22-thia-1,4,7,13,16,19-hexazaspiro[10.12]tricos-20-en-9-yl]amino]-1-oxopropan-2-yl]-15-[(N,N'-dimethylcarbamimidoyl)amino]pentadecanamide