EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226765 - Plantaricin D

ChEBI IDCHEBI:226765
ChEBI NamePlantaricin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H71N11O13S
Net Charge0
Average Mass946.139
Monoisotopic Mass945.49535
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(C)N)C(C)O
InChIInChI=1S/C40H71N11O13S/c1-10-20(4)28(17-52)49-34(58)23(7)45-40(64)32(24(8)54)51-35(59)22(6)44-31(56)16-43-36(60)26(13-14-65-9)47-37(61)25(11-12-30(42)55)46-38(62)27(15-19(2)3)48-39(63)29(18-53)50-33(57)21(5)41/h17,19-29,32,53-54H,10-16,18,41H2,1-9H3,(H2,42,55)(H,43,60)(H,44,56)(H,45,64)(H,46,62)(H,47,61)(H,48,63)(H,49,58)(H,50,57)(H,51,59)
InChIKeyOWNMKWWFCSMKAU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lactobacillus (ncbitaxon:1578) - DOI (10.1006/fmic.1999.0275)
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 D (CHEBI:226765) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[2-[[2-(2-aminopropanoylamino)-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
78444242ChemSpider