CHEBI:168118 - 10-F2-dihomo-IsoP

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 10-F2-dihomo-IsoP
ChEBI ID CHEBI:168118
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H40O5
Net Charge 0
Average Mass 396.568
Monoisotopic Mass 396.28757
InChI InChI=1S/C23H40O5/c1-2-3-9-13-19-20(22(26)17-21(19)25)16-15-18(24)12-10-7-5-4-6-8-11-14-23(27)28/h7,10,15-16,18-22,24-26H,2-6,8-9,11-14,17H2,1H3,(H,27,28)/b10-7-,16-15+
InChIKey DTTMKDYOUCSFNN-NTZQAAQGSA-N
SMILES OC1C(C(C(O)C1)/C=C/C(O)C/C=C\CCCCCCC(O)=O)CCCCC
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 10-F2-dihomo-IsoP (CHEBI:168118) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(8Z,12E)-13-(3,5-dihydroxy-2-pentylcyclopentyl)-11-hydroxytrideca-8,12-dienoic acid
Manual Xref Database
LMFA03110168 LIPID MAPS
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