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CHEBI:198719 - Acidocin J-1132beta

ChEBI IDCHEBI:198719
ChEBI NameAcidocin J-1132beta
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H79N17O15S
Net Charge0
Average Mass1166.331
Monoisotopic Mass1165.56623
SMILESCC(NC(=O)C(CS)NC(=O)C(Cc1cncn1)NC(=O)C(C)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(N)CCC=O)C(C)C)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
InChIInChI=1S/C48H79N17O15S/c1-23(2)37(64-42(74)29(10-5-6-14-49)59-46(78)34-11-7-15-65(34)48(80)31(18-36(52)69)61-41(73)27(50)9-8-16-66)47(79)57-25(4)39(71)60-30(17-26-19-54-22-55-26)43(75)63-33(21-81)45(77)56-24(3)40(72)62-32(20-67)44(76)58-28(38(53)70)12-13-35(51)68/h16,19,22-25,27-34,37,67,81H,5-15,17-18,20-21,49-50H2,1-4H3,(H2,51,68)(H2,52,69)(H2,53,70)(H,54,55)(H,56,77)(H,57,79)(H,58,76)(H,59,78)(H,60,71)(H,61,73)(H,62,72)(H,63,75)(H,64,74)
InChIKeyDIUCGSUPWMHJRZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lactobacillus gasseri (ncbitaxon:1596) - DOI (10.1016/s0378-1097(97)00019-0)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Acidocin J-1132beta (CHEBI:198719) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[2-[2-[[2-[[2-[2-[[2-[[6-amino-2-[[1-[4-amino-2-[(2-amino-5-oxopentanoyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]pentanediamide
Manual XrefsDatabases
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