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CHEBI:202567 - Pseudomonas a ferritin

ChEBI IDCHEBI:202567
ChEBI NamePseudomonas a ferritin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H90N16O13S
Net Charge0
Average Mass1167.447
Monoisotopic Mass1166.65940
SMILESCCC(C)C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(N)CCSC)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(C=O)Cc1cncn1
InChIInChI=1S/C51H90N16O13S/c1-6-30(4)43(51(80)65-37(16-17-39(56)69)46(75)60-32(27-68)23-31-25-57-28-59-31)67-50(79)42(29(2)3)66-48(77)36(15-9-12-21-54)63-47(76)35(14-8-11-20-53)64-49(78)38(24-41(71)72)61-40(70)26-58-45(74)34(13-7-10-19-52)62-44(73)33(55)18-22-81-5/h25,27-30,32-38,42-43H,6-24,26,52-55H2,1-5H3,(H2,56,69)(H,57,59)(H,58,74)(H,60,75)(H,61,70)(H,62,73)(H,63,76)(H,64,78)(H,65,80)(H,66,77)(H,67,79)(H,71,72)
InChIKeyWHCYZGLGDNCDKO-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)
Pseudomonas a ferritin (CHEBI:202567) is a oligopeptide (CHEBI:25676)
IUPAC Name 
4-[[6-amino-1-[[6-amino-1-[[1-[[1-[[5-amino-1-[[1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[2-[[6-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]hexanoyl]amino]acetyl]amino]-4-oxobutanoic acid
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