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pinellic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_34506

A trihydroxyoctadecenoic acid with hydroxy groups at positions C-9, -12, and 13, and an E (cis) double bond at position 10.

Term info

Label

pinellic acid

Synonyms
  • (9S,10E,12S,13S)-9,12,13-trihydroxyoctadec-10-enoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(9S,10E,12S,13S)-9,12,13-trihydroxyoctadec-10-enoic acid [ IUPAC ]

charge

0

formula

C18H34O5

has obo namespace

chebi_ontology

has related synonym

(10E)-(9S,12S,13S)-9,12,13-Trihydroxyoctadec-10-enoic acid, 9,12,13-TriHOME, 9S,12S,13S-trihydroxy-10E-octadecenoic acid, 9(S),12(S),13(S)-Trihydroxy-10(E)-octadecenoic acid

id

CHEBI:34506

inchi

InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m0/s1

inchikey

MDIUMSLCYIJBQC-MVFSOIOZSA-N

mass

330.45960

monoisotopicmass

330.24062

smiles

CCCCC[C@H](O)[C@@H](O)\C=C\[C@@H](O)CCCCCCCC(O)=O