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CHEBI:225965 - Pseudomonas beta ferritin

ChEBI IDCHEBI:225965
ChEBI NamePseudomonas beta ferritin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H77N13O16S
Net Charge0
Average Mass1172.330
Monoisotopic Mass1171.53319
SMILESCCC(C)C(NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(Cc1cncn1)NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(N)CCSC)C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C=O)Cc1ccc(O)cc1
InChIInChI=1S/C52H77N13O16S/c1-6-28(4)44(51(80)62-36(22-42(72)73)48(77)58-31(25-66)20-29-9-11-32(67)12-10-29)64-50(79)43(27(2)3)63-47(76)35(14-16-41(70)71)61-49(78)38-8-7-18-65(38)52(81)37(21-30-23-55-26-57-30)59-40(69)24-56-46(75)34(13-15-39(54)68)60-45(74)33(53)17-19-82-5/h9-12,23,25-28,31,33-38,43-44,67H,6-8,13-22,24,53H2,1-5H3,(H2,54,68)(H,55,57)(H,56,75)(H,58,77)(H,59,69)(H,60,74)(H,61,78)(H,62,80)(H,63,76)(H,64,79)(H,70,71)(H,72,73)
InChIKeySISUIWQKEBULAB-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 beta ferritin (CHEBI:225965) is a oligopeptide (CHEBI:25676)
IUPAC Name 
4-[[1-[2-[[2-[[5-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]-5-oxopentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-[[1-[[1-[[3-carboxy-1-[[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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78444597ChemSpider