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CHEBI:218684 - Pseudomonic acid C

ChEBI IDCHEBI:218684
ChEBI NamePseudomonic acid C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H44O8
Net Charge0
Average Mass484.630
Monoisotopic Mass484.30362
SMILESC/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C26H44O8/c1-18(16-24(30)33-14-9-7-5-4-6-8-13-23(28)29)15-22-26(32)25(31)21(17-34-22)12-10-11-19(2)20(3)27/h10-11,16,19-22,25-27,31-32H,4-9,12-15,17H2,1-3H3,(H,28,29)/b11-10+,18-16+/t19-,20+,21+,22+,25-,26+/m1/s1
InChIKeyKKMHFUKZHJOMJL-WZLBZGCNSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas fluorescens (ncbitaxon:294) - PubMed (3923922)
ChEBI Ontology
Outgoing Relation(s)
Pseudomonic acid C (CHEBI:218684) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid
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