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CHEBI:209856 - Lactococcin mmfii

ChEBI IDCHEBI:209856
ChEBI NameLactococcin mmfii
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H63N15O15S
Net Charge0
Average Mass1050.123
Monoisotopic Mass1049.43488
SMILESCC(C)C(NC(=O)CNC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(N)C(C)O)C(=O)NC(Cc1cncn1)C(=O)NC(CS)C(=O)NC(CC(N)=O)C(N)=O
InChIInChI=1S/C42H63N15O15S/c1-18(2)34(42(72)54-25(9-21-12-47-17-50-21)38(68)56-28(16-73)40(70)52-23(35(46)65)10-29(43)61)57-32(64)14-49-37(67)26(11-30(44)62)51-31(63)13-48-36(66)24(8-20-4-6-22(60)7-5-20)53-39(69)27(15-58)55-41(71)33(45)19(3)59/h4-7,12,17-19,23-28,33-34,58-60,73H,8-11,13-16,45H2,1-3H3,(H2,43,61)(H2,44,62)(H2,46,65)(H,47,50)(H,48,66)(H,49,67)(H,51,63)(H,52,70)(H,53,69)(H,54,72)(H,55,71)(H,56,68)(H,57,64)
InChIKeyMAZXKDDORGFLRZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lactococcus lactis (ncbitaxon:1358) - DOI (10.1016/s0378-1097(01)00435-9)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lactococcin mmfii (CHEBI:209856) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]butanediamide
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