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CHEBI:216510 - E. coli ferritin

ChEBI IDCHEBI:216510
ChEBI NameE. coli ferritin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H85N13O15S
Net Charge0
Average Mass1152.384
Monoisotopic Mass1151.60088
SMILESCCC(C)C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(N)CCSC)C(C)O)C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C=O)Cc1ccc(O)cc1
InChIInChI=1S/C51H85N13O15S/c1-7-28(4)42(50(78)61-36(23-38(55)68)47(75)57-31(26-65)22-30-14-16-32(67)17-15-30)63-49(77)41(27(2)3)62-46(74)35(13-9-11-20-53)60-51(79)43(29(5)66)64-48(76)37(24-40(70)71)58-39(69)25-56-45(73)34(12-8-10-19-52)59-44(72)33(54)18-21-80-6/h14-17,26-29,31,33-37,41-43,66-67H,7-13,18-25,52-54H2,1-6H3,(H2,55,68)(H,56,73)(H,57,75)(H,58,69)(H,59,72)(H,60,79)(H,61,78)(H,62,74)(H,63,77)(H,64,76)(H,70,71)
InChIKeyPNTZQSRGXCNNOT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287) - DOI (10.1016/0014-5793(96)00667-9)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
E. coli ferritin (CHEBI:216510) is a oligopeptide (CHEBI:25676)
IUPAC Name 
4-[[1-[[6-amino-1-[[1-[[1-[[4-amino-1-[[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[2-[[6-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]hexanoyl]amino]acetyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
78444571ChemSpider