CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate
Accession: CHEBI:133795
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Definition: A hydroperoxydocosahexaenoate that is the conjugate base of (17S)-HPDoHE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms: exact_synonym: (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoate
related_synonym: (17S)-HPDHA(1-); (17S)-HPDoHE(1-); (17S)-hydroperoxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoate; (4Z,7Z,10Z,13Z,15E,17S,19Z)-hydroperoxydocosahexaenoate; Formula=C22H31O4; InChI=1S/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m0/s1; InChIKey=BNHQALRBDJVUQB-YTQNUIGOSA-M; SMILES=[O-]C(CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C=C\\[C@H](C/C=C\\CC)OO)=O
xref: MetaCyc:CPD66-80; PMID:19324874
cyclic_relationship: is_conjugate_base_of CHEBI:136113
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19811
chemical entity
19840
atom
19809
nonmetal atom
19747
carbon atom
19734
organic molecular entity
19705
lipid
17920
fatty acid derivative
8923
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl derivative
0
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
0
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate
0
Path 2
CHEBI ontology
19811
subatomic particle
19809
composite particle
19809
hadron
19840
baryon
19809
nucleon
19809
atomic nucleus
19809
atom
19809
main group element atom
19759
p-block element atom
19759
carbon group element atom
19708
carbon atom
19734
organic molecular entity
19705
heteroorganic entity
19459
organochalcogen compound
19222
organooxygen compound
19137
carbon oxoacid
18597
carboxylic acid
18594
monocarboxylic acid
17952
fatty acid
16689
fatty acid derivative
8923
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl derivative
0
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
0
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate
0