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CHEBI:205715 - Pseudomonic acid D

ChEBI IDCHEBI:205715
ChEBI NamePseudomonic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O9
Net Charge0
Average Mass498.613
Monoisotopic Mass498.28288
SMILESC/C(=C\C(=O)OCCCC/C=C/CCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C26H42O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h4,6,13,17-21,24-27,31-32H,5,7-12,14-15H2,1-3H3,(H,28,29)/b6-4+,16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1
InChIKeyRJGJFSVDQPCELW-VCXQKUNESA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - DOI (10.1039/p19830002655)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pseudomonic acid D (CHEBI:205715) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(E)-9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynon-4-enoic acid
Manual XrefsDatabases
8204442ChemSpider