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: 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
Accession: CHEBI:79097
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Definition: A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituents at positions 1 and 2 are specified as hexadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
Synonyms: exact_synonym: (19R)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda(5)-phosphapentacosan-19-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
related_synonym: 1-Hexadecanoyl-2-docosahexanoyl-sn-glycero-3-phosphoethanolamine; 1-Palmitoyl-2-docosahexanoyl-sn-glycero-3-phosphoethanolamine; 1-palmitoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine; Formula=C43H74NO8P; GPEtn(16:0/22:6); GPEtn(16:0/22:6n3); GPEtn(16:0/22:6w3); GPEtn(38:6); InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,41H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t41-/m1/s1; InChIKey=MPWUZHVZZKSTPV-MADBQMNMSA-N; PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); PE(16:0/22:6); PE(16:0/22:6n3); PE(16:0/22:6w3); PE(38:6); Phophatidylethanolamine(38:6); Phosphatidylethanolamine(16:0/22:6); Phosphatidylethanolamine(16:0/22:6n3); Phosphatidylethanolamine(16:0/22:6w3); SMILES=CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CC
xref: HMDB:HMDB0008946; LIPID_MAPS_instance:LMGP02010095; Reaxys:7789266
cyclic_relationship: is_tautomer_of CHEBI:78261
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19841
role
19817
application
19661
pharmaceutical
19502
drug
19502
antineoplastic agent
17767
all-cis-docosa-4,7,10,13,16,19-hexaenoic acid
18
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
0
Path 2
CHEBI ontology
19841
subatomic particle
19839
composite particle
19839
hadron
19839
baryon
19839
nucleon
19839
atomic nucleus
19839
atom
19839
main group element atom
19789
p-block element atom
19789
chalcogen
19545
oxygen atom
19520
oxygen molecular entity
19520
hydroxides
19332
oxoacid
18768
pnictogen oxoacid
13221
phosphorus oxoacid
12425
phosphoric acids
11425
phosphoric acid
11425
phosphoric acid derivative
11234
phosphate
11233
organic phosphate
11233
phospholipid
316
glycerophospholipid
211
glycerophosphoethanolamine
15
phosphatidylethanolamine
7
1,2-diacyl-sn-glycero-3-phosphoethanolamine
0
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
0