Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:43:55 UTC
Update Date2022-08-31 06:43:59 UTC
Metabolite IDMMDBc0018545
Metabolite Identification
Common NameLactococcin mmfii
DescriptionLactococcin mmfii belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Based on a literature review very few articles have been published on Lactococcin mmfii.
Structure
SynonymsNot Available
Molecular FormulaC42H63N15O15S
Average Mass1050.12
Monoisotopic Mass1049.434877563
IUPAC Name2-[(2-{[2-({2-[(2-amino-1,3-dihydroxybutylidene)amino]-1,3-dihydroxypropylidene}amino)-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxyethylidene)amino]-N-({[1-({1-[(1-{[1,2-bis(C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}-2-sulfanylethyl)-C-hydroxycarbonimidoyl]-2-(1H-imidazol-5-yl)ethyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}methyl)butanediimidic acid
Traditional Name2-[(2-{[2-({2-[(2-amino-1,3-dihydroxybutylidene)amino]-1,3-dihydroxypropylidene}amino)-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxyethylidene)amino]-N-({[1-({1-[(1-{[1,2-bis(C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}-2-sulfanylethyl)-C-hydroxycarbonimidoyl]-2-(3H-imidazol-4-yl)ethyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}methyl)butanediimidic acid
CAS Registry NumberNot Available
SMILES
CC(C)C(N=C(O)CN=C(O)C(CC(O)=N)N=C(O)CN=C(O)C(CC1=CC=C(O)C=C1)N=C(O)C(CO)N=C(O)C(N)C(C)O)C(O)=NC(CC1=CN=CN1)C(O)=NC(CS)C(O)=NC(CC(O)=N)C(O)=N
InChI Identifier
InChI=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)
InChI KeyMAZXKDDORGFLRZ-UHFFFAOYSA-N