EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200142 - Carnobacteriocin B2

ChEBI IDCHEBI:200142
ChEBI NameCarnobacteriocin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H62N12O15S
Net Charge0
Average Mass983.072
Monoisotopic Mass982.41783
SMILESCC(C)C(N)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(C=O)CO)C(C)C
InChIInChI=1S/C40H62N12O15S/c1-18(2)32(43)39(66)49-25(11-29(42)58)36(63)48-23(9-20-5-7-22(56)8-6-20)34(61)44-12-30(59)47-24(10-28(41)57)35(62)45-13-31(60)52-33(19(3)4)40(67)50-26(16-55)37(64)51-27(17-68)38(65)46-21(14-53)15-54/h5-8,14,18-19,21,23-27,32-33,54-56,68H,9-13,15-17,43H2,1-4H3,(H2,41,57)(H2,42,58)(H,44,61)(H,45,62)(H,46,65)(H,47,59)(H,48,63)(H,49,66)(H,50,67)(H,51,64)(H,52,60)
InChIKeyIFGWMXJAPMVZQQ-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)
Carnobacteriocin B2 (CHEBI:200142) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[2-[[2-[[4-amino-2-[(2-amino-3-methylbutanoyl)amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-N-[2-[[1-[[3-hydroxy-1-[[1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1-oxo-3-sulanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]butanediamide
Manual XrefsDatabases
78443939ChemSpider