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CHEBI:76236 - (R)-2-hydroperoxy-α-linolenic acid

ChEBI IDCHEBI:76236
ChEBI Name(R)-2-hydroperoxy-α-linolenic acid
Stars
ASCII Name(R)-2-hydroperoxy-alpha-linolenic acid
DefinitionA hydroperoxy fatty acid that is α-linolenic acid having a single hydroperoxy substituent located at the 2R-position.
Last Modified30 March 2020
SubmitterSteve
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILESCC/C=C\C/C=C\C/C=C\CCCCCC[C@@H](OO)C(=O)O
InChIInChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22-21)18(19)20/h3-4,6-7,9-10,17,21H,2,5,8,11-16H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-/t17-/m1/s1
InChIKeyBFDKCISGMFXZOW-KITAFTRQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(R)-2-hydroperoxy-α-linolenic acid (CHEBI:76236) has functional parent α-linolenic acid (CHEBI:27432)
(R)-2-hydroperoxy-α-linolenic acid (CHEBI:76236) is a (2R)-hydroperoxy fatty acid (CHEBI:147344)
(R)-2-hydroperoxy-α-linolenic acid (CHEBI:76236) is a hydroperoxyoctadecatrienoic acid (CHEBI:134615)
(R)-2-hydroperoxy-α-linolenic acid (CHEBI:76236) is conjugate acid of (R)-2-hydroperoxy-α-linolenate (CHEBI:76161)
Incoming Relation(s)
(R)-2-hydroperoxy-α-linolenate (CHEBI:76161) is conjugate base of (R)-2-hydroperoxy-α-linolenic acid (CHEBI:76236)
IUPAC Name 
(2R,9Z,12Z,15Z)-2-hydroperoxyoctadeca-9,12,15-trienoic acid
Synonyms  Source
2(R)-HpOTrEKEGG COMPOUND
(2R)-(9Z,12Z,15Z)-2-Hydroperoxyoctadecatri-9,12,15-enoic acidKEGG COMPOUND
Manual XrefsDatabases
C16341KEGG COMPOUND
Registry NumbersSources
Reaxys:8789490Reaxys