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CHEBI:199040 - Pseudotrienic acid A

ChEBI IDCHEBI:199040
ChEBI NamePseudotrienic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50N2O6
Net Charge0
Average Mass546.749
Monoisotopic Mass546.36689
SMILESCCCCCCCCCC(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/C31H50N2O6/c1-4-5-6-7-8-11-14-17-27(34)21-19-25(2)20-22-29(36)33-24-28(35)26(3)31(39)32-23-16-13-10-9-12-15-18-30(37)38/h9-10,12-13,15,18-21,26-28,34-35H,4-8,11,14,16-17,22-24H2,1-3H3,(H,32,39)(H,33,36)(H,37,38)/b12-9+,13-10+,18-15+,21-19+,25-20+/t26-,27?,28-/m0/s1
InChIKeyWBVCUTBXBMPSBQ-UQLNNEGESA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (16180818)
ChEBI Ontology
Outgoing Relation(s)
Pseudotrienic acid A (CHEBI:199040) has functional parent γ-amino acid (CHEBI:33707)
Pseudotrienic acid A (CHEBI:199040) is a organonitrogen compound (CHEBI:35352)
Pseudotrienic acid A (CHEBI:199040) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2E,4E,6E)-9-[[(2S,3R)-3-hydroxy-4-[[(3E,5E)-7-hydroxy-4-methylhexadeca-3,5-dienoyl]amino]-2-methylbutanoyl]amino]nona-2,4,6-trienoic acid
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