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CHEBI:200209 - Pyrenulic acid D

ChEBI IDCHEBI:200209
ChEBI NamePyrenulic acid D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O5
Net Charge0
Average Mass428.569
Monoisotopic Mass428.25627
SMILESCC1=CC[C@H]2[C@@H]3[C@H](O)[C@@H](/C=C/C=C/C(=O)O)O[C@@H]4[C@H](C)CCO[C@@]4(C)[C@@H]3C(C)=C[C@@H]2C1
InChIInChI=1S/C26H36O5/c1-15-9-10-19-18(13-15)14-17(3)23-22(19)24(29)20(7-5-6-8-21(27)28)31-25-16(2)11-12-30-26(23,25)4/h5-9,14,16,18-20,22-25,29H,10-13H2,1-4H3,(H,27,28)/b7-5+,8-6+/t16-,18+,19-,20-,22+,23-,24-,25-,26+/m1/s1
InChIKeyPGBJDDGVFZUUMK-GRMCZHRFSA-N
Species of MetaboliteComponentSourceComments
Pyrenulaspecies (ncbitaxon:2530106) - PubMed (24926891)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pyrenulic acid D (CHEBI:200209) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E,4E)-5-[(1S,2S,6R,7R,9R,10S,11S,12R,17R)-10-hydroxy-2,6,15,19-tetramethyl-3,8-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-14,18-dien-9-yl]penta-2,4-dienoic acid
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