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CHEBI:210922 - Leucocin B-TA11A

ChEBI IDCHEBI:210922
ChEBI NameLeucocin B-TA11A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H74N14O17S2
Net Charge0
Average Mass1171.324
Monoisotopic Mass1170.47978
SMILESCSCCC(N)C(=O)NC(CC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(C=O)Cc1ccc(O)cc1
InChIInChI=1S/C47H74N14O17S2/c1-23(39(70)57-33(20-38(68)69)46(77)59-30(17-35(50)65)43(74)54-25(21-62)16-24-7-9-26(64)10-8-24)53-47(78)34(22-63)61-41(72)28(6-4-5-13-48)55-42(73)29(12-15-80-3)56-44(75)32(19-37(52)67)60-45(76)31(18-36(51)66)58-40(71)27(49)11-14-79-2/h7-10,21,23,25,27-34,63-64H,4-6,11-20,22,48-49H2,1-3H3,(H2,50,65)(H2,51,66)(H2,52,67)(H,53,78)(H,54,74)(H,55,73)(H,56,75)(H,57,70)(H,58,71)(H,59,77)(H,60,76)(H,61,72)(H,68,69)
InChIKeyGJULFBNAGMRDSE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Leuconostoc carnosum (ncbitaxon:1252) - PubMed (7765496)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Leucocin B-TA11A (CHEBI:210922) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-[2-[[2-[[6-amino-2-[[2-[[4-amino-2-[[4-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylsulanylbutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-4-[[4-amino-1-[[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78444498ChemSpider