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CHEBI:204272 - Nukacin ISK-1

ChEBI IDCHEBI:204272
ChEBI NameNukacin ISK-1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H87N13O16S2
Net Charge0
Average Mass1178.444
Monoisotopic Mass1177.58352
SMILESCCC(C)C(C=O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCSC)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(N)CCSC)C(C)C
InChIInChI=1S/C49H87N13O16S2/c1-7-27(4)35(24-63)60-47(76)34(23-39(68)69)59-42(71)29(12-8-10-18-50)55-44(73)32(17-21-80-6)57-49(78)40(26(2)3)62-45(74)30(13-9-11-19-51)56-48(77)36(25-64)61-46(75)33(22-37(53)65)58-43(72)31(14-15-38(66)67)54-41(70)28(52)16-20-79-5/h24,26-36,40,64H,7-23,25,50-52H2,1-6H3,(H2,53,65)(H,54,70)(H,55,73)(H,56,77)(H,57,78)(H,58,72)(H,59,71)(H,60,76)(H,61,75)(H,62,74)(H,66,67)(H,68,69)
InChIKeyHAFVLPSGNZHBMQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus (ncbitaxon:1279) - PubMed (11193411)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nukacin ISK-1 (CHEBI:204272) is a oligopeptide (CHEBI:25676)
IUPAC Name 
5-[[4-amino-1-[[1-[[6-amino-1-[[1-[[1-[[6-amino-1-[[3-carboxy-1-[(3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methylsulanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[(2-amino-4-methylsulanylbutanoyl)amino]-5-oxopentanoic acid
Manual XrefsDatabases
78444070ChemSpider