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CHEBI:207028 - Mutacin

ChEBI IDCHEBI:207028
ChEBI NameMutacin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC49H69N15O10
Net Charge0
Average Mass1028.186
Monoisotopic Mass1027.53518
SMILESCC(C)C(C=O)NC(=O)C(NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(Cc1cnc2ccccc12)NC(=O)C(Cc1cnc2ccccc12)NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(N)=O)C(C)C
InChIInChI=1S/C49H69N15O10/c1-25(2)38(24-65)63-48(74)42(26(3)4)64-41(68)23-58-44(70)35(15-16-39(51)66)60-46(72)36(18-27-21-56-32-12-7-5-10-29(27)32)62-47(73)37(19-28-22-57-33-13-8-6-11-30(28)33)61-45(71)34(14-9-17-55-49(53)54)59-43(69)31(50)20-40(52)67/h5-8,10-13,21-22,24-26,31,34-38,42,56-57H,9,14-20,23,50H2,1-4H3,(H2,51,66)(H2,52,67)(H,58,70)(H,59,69)(H,60,72)(H,61,71)(H,62,73)(H,63,74)(H,64,68)(H4,53,54,55)
InChIKeyJAAHNENSAUIUNI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) - PubMed (8021218)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mutacin (CHEBI:207028) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[(2,4-diamino-4-oxobutanoyl)amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[2-[[3-methyl-1-[(3-methyl-1-oxobutan-2-yl)amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide
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