CHEBI:192921 - 8-deoxy-J2-IsoP

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ChEBI Name 8-deoxy-J2-IsoP
ChEBI ID CHEBI:192921
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O3
Net Charge 0
Average Mass 316.441
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/c1-2-3-9-13-18-17(15-16-19(18)21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,12,15-16,18H,2-3,5,8-9,11,13-14H2,1H3,(H,22,23)/b6-4-,10-7+,17-12-/t18-/m0/s1
InChIKey JTSWNPYSJJAOQQ-UILHMMCHSA-N
SMILES O=C1[C@@H](CCCCC)/C(/C=C1)=C\C=C\C/C=C\CCCC(O)=O
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 8-deoxy-J2-IsoP (CHEBI:192921) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(5Z,8E,10Z)-10-[(5S)-4-oxo-5-pentylcyclopent-2-en-1-ylidene]deca-5,8-dienoic acid
Manual Xrefs Databases
113369512 ChemSpider
LMFA03110062 LIPID MAPS
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