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CHEBI:204357 - Piscicocin V1a

ChEBI IDCHEBI:204357
ChEBI NamePiscicocin V1a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H69N13O15S
Net Charge0
Average Mass1088.212
Monoisotopic Mass1087.47568
SMILESCC(C)C(NC(=O)CNC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CCCCN)C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(C=O)CC(N)=O
InChIInChI=1S/C47H69N13O15S/c1-24(2)40(47(75)58-34(22-62)45(73)59-35(23-76)46(74)54-27(21-61)17-36(50)65)60-39(68)20-53-43(71)33(18-37(51)66)55-38(67)19-52-42(70)31(15-25-6-10-28(63)11-7-25)57-44(72)32(16-26-8-12-29(64)13-9-26)56-41(69)30(49)5-3-4-14-48/h6-13,21,24,27,30-35,40,62-64,76H,3-5,14-20,22-23,48-49H2,1-2H3,(H2,50,65)(H2,51,66)(H,52,70)(H,53,71)(H,54,74)(H,55,67)(H,56,69)(H,57,72)(H,58,75)(H,59,73)(H,60,68)
InChIKeyDXSXQNCOTGEZIS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Carnobacterium (ncbitaxon:2747) - PubMed (8953713)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Piscicocin V1a (CHEBI:204357) is a peptide (CHEBI:16670)
IUPAC Name 
N-[2-[[1-[[1-[[1-[(4-amino-1,4-dioxobutan-2-yl)amino]-1-oxo-3-sulanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]butanediamide
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