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CHEBI:213653 - Pseudotrienic acid B

ChEBI IDCHEBI:213653
ChEBI NamePseudotrienic acid B
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SubmitterMetaboLights
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FormulaC29H46N2O6
Net Charge0
Average Mass518.695
Monoisotopic Mass518.33559
SMILESCCCCCCCC(O)/C=C/C(C)=C/CC(=O)NC[C@H](O)[C@H](C)C(=O)NCC/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C29H46N2O6/c1-4-5-6-9-12-15-25(32)19-17-23(2)18-20-27(34)31-22-26(33)24(3)29(37)30-21-14-11-8-7-10-13-16-28(35)36/h7-8,10-11,13,16-19,24-26,32-33H,4-6,9,12,14-15,20-22H2,1-3H3,(H,30,37)(H,31,34)(H,35,36)/b10-7+,11-8+,16-13+,19-17+,23-18+/t24-,25?,26-/m0/s1
InChIKeyKUBFEPFJIGSSKC-DXIDGMHMSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (16180818)
ChEBI Ontology
Outgoing Relation(s)
Pseudotrienic acid B (CHEBI:213653) has functional parent γ-amino acid (CHEBI:33707)
Pseudotrienic acid B (CHEBI:213653) is a organonitrogen compound (CHEBI:35352)
Pseudotrienic acid B (CHEBI:213653) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2E,4E,6E)-9-[[(2S,3R)-3-hydroxy-4-[[(3E,5E)-7-hydroxy-4-methyltetradeca-3,5-dienoyl]amino]-2-methylbutanoyl]amino]nona-2,4,6-trienoic acid
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