CHEBI:85019 - 1-[(1Z,11Z)-octadecadienyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine

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ChEBI Name 1-[(1Z,11Z)-octadecadienyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:85019
ChEBI ASCII Name 1-[(1Z,11Z)-octadecadienyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine
Definition A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alk-1-enyl and acyl groups are specified as (1Z,11Z)-octadecadienyl and palmitoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H76NO7P
Net Charge 0
Average Mass 701.99700
Monoisotopic Mass 701.53594
InChI InChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h13,15,31,34,38H,3-12,14,16-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b15-13-,34-31-/t38-/m1/s1
InChIKey MYXWLPFBAVVSPF-NHGOJEJISA-N
SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](CO\C=C/CCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCCN
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[(1Z,11Z)-octadecadienyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85019) has functional parent hexadecanoic acid (CHEBI:15756)
1-[(1Z,11Z)-octadecadienyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85019) has role mouse metabolite (CHEBI:75771)
1-[(1Z,11Z)-octadecadienyl]-2-palmitoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85019) is a 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:17476)
IUPAC Name
(7Z,17Z,21R)-27-amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosa-7,17-dien-21-yl hexadecanoate
Synonyms Sources
1-(1-Enyl-vaccenoyl)-2-palmitoyl-sn-glycero-3-phosphoethanolamine HMDB
PE(P-18:1(11Z)/16:0) HMDB
Manual Xref Database
HMDB0011404 HMDB
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Last Modified
25 February 2015