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CHEBI:225696 - Plantaricin A

ChEBI IDCHEBI:225696
ChEBI NamePlantaricin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H75N11O14S
Net Charge0
Average Mass1038.236
Monoisotopic Mass1037.52157
SMILESCCC(C)C(C=O)NC(=O)C(C)NC(=O)C(NC(=O)C(C)NC(=O)CNC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(N)Cc1ccc(O)cc1)C(C)O
InChIInChI=1S/C46H75N11O14S/c1-9-24(4)34(21-58)55-39(64)26(6)51-46(71)38(27(7)60)57-40(65)25(5)50-37(63)20-49-42(67)32(16-17-72-8)53-43(68)31(14-15-36(48)62)52-44(69)33(18-23(2)3)54-45(70)35(22-59)56-41(66)30(47)19-28-10-12-29(61)13-11-28/h10-13,21,23-27,30-35,38,59-61H,9,14-20,22,47H2,1-8H3,(H2,48,62)(H,49,67)(H,50,63)(H,51,71)(H,52,69)(H,53,68)(H,54,70)(H,55,64)(H,56,66)(H,57,65)
InChIKeyXWJYGTDYKZLURA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lactobacillus (ncbitaxon:1578) - PubMed (9603847)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Plantaricin A (CHEBI:225696) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[2-[[1-[[3-hydroxy-1-[[1-[(3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulanyl-1-oxobutan-2-yl]pentanediamide
Manual XrefsDatabases
78444727ChemSpider