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CHEBI:212790 - Nitrobacter ferritin

ChEBI IDCHEBI:212790
ChEBI NameNitrobacter ferritin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H84N12O15S
Net Charge0
Average Mass1149.380
Monoisotopic Mass1148.58998
SMILESCCC(C)C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(N)CCSC)C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C=O)Cc1ccc(O)cc1
InChIInChI=1S/C52H84N12O15S/c1-6-30(4)44(51(78)61-37(25-41(68)69)48(75)57-32(28-65)24-31-15-17-33(66)18-16-31)63-50(77)43(29(2)3)62-47(74)36(13-8-10-21-54)60-49(76)39-14-11-22-64(39)52(79)38(26-42(70)71)58-40(67)27-56-46(73)35(12-7-9-20-53)59-45(72)34(55)19-23-80-5/h15-18,28-30,32,34-39,43-44,66H,6-14,19-27,53-55H2,1-5H3,(H,56,73)(H,57,75)(H,58,67)(H,59,72)(H,60,76)(H,61,78)(H,62,74)(H,63,77)(H,68,69)(H,70,71)
InChIKeyOADJURFAGVHFQN-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)
Nitrobacter ferritin (CHEBI:212790) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-[[2-[[2-[[6-amino-2-[[1-[2-[[2-[[6-amino-2-[(2-amino-4-methylsulanylbutanoyl)amino]hexanoyl]amino]acetyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-[[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-4-oxobutanoic acid
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