CHEBI:85020 - 1-[(1Z,11Z)-octadecadienyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine

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ChEBI Name 1-[(1Z,11Z)-octadecadienyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:85020
ChEBI ASCII Name 1-[(1Z,11Z)-octadecadienyl]-2-oleoyl-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 oleoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C41H78NO7P
Net Charge 0
Average Mass 728.03430
Monoisotopic Mass 727.55159
InChI InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,33,36,40H,3-12,14,16-17,19,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b15-13-,20-18-,36-33-/t40-/m1/s1
InChIKey VXAQICWVKHYAOM-LQNIOAHJSA-N
SMILES CCCCCCCC\C=C/CCCCCCCC(=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).
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ChEBI Ontology
Outgoing 1-[(1Z,11Z)-octadecadienyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85020) has functional parent oleic acid (CHEBI:16196)
1-[(1Z,11Z)-octadecadienyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85020) has role mouse metabolite (CHEBI:75771)
1-[(1Z,11Z)-octadecadienyl]-2-oleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85020) 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 (9Z)-octadec-9-enoate
Synonyms Sources
1-(1-Enyl-vaccenoyl)-2-oleoyl-sn-glycero-3-phosphoethanolamine HMDB
PE(P-18:1(11Z)/18:1(9Z)) HMDB
Manual Xref Database
HMDB0011408 HMDB
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Last Modified
25 February 2015