CHEBI:60320 - 1-O-palmitoyl-2-O-(epoxyisoprostanoyl)-sn-glycero-3-phosphocholine

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ChEBI Name 1-O-palmitoyl-2-O-(epoxyisoprostanoyl)-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:60320
ChEBI ASCII Name 1-O-palmitoyl-2-O-(epoxyisoprostanoyl)-sn-glycero-3-phosphocholine
Definition A 1,2-diacyl-sn-glycero-3-phosphocholine having palmitoyl and epoxyisoprostanoyl groups at the 1- and 2-positions respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H77NO10P
Net Charge +1
Average Mass 811.05660
Monoisotopic Mass 810.52796
InChI InChI=1S/C44H76NO10P/c1-6-8-10-12-14-15-16-17-18-19-20-22-24-28-43(47)51-35-38(36-53-56(49,50)52-33-32-45(3,4)5)54-44(48)29-25-27-41-42(55-41)34-39-37(30-31-40(39)46)26-23-21-13-11-9-7-2/h21,23,30-31,34,37-38,41-42H,6-20,22,24-29,32-33,35-36H2,1-5H3/p+1/b23-21-,39-34+/t37-,38+,41+,42+/m0/s1
InChIKey QLDAKUMQNLOERP-XHZZSHSUSA-O
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCC[C@H]1O[C@@H]1\C=C1/[C@@H](C\C=C/CCCCC)C=CC1=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 1,2-diacyl-sn-glycero-3-phosphocholine(1+) )
Application(s): drug
Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances.
(via 1,2-diacyl-sn-glycero-3-phosphocholine(1+) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-O-palmitoyl-2-O-(epoxyisoprostanoyl)-sn-glycero-3-phosphocholine (CHEBI:60320) is a 1,2-diacyl-sn-glycero-3-phosphocholine(1+) (CHEBI:16110)
IUPAC Name
(7R)-7-{[(5R,6R,7E,14Z)-1,9-dioxo-5,6-epoxyprosta-7,10,14-trien-1-yl]oxy}-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxide
Synonyms Sources
1-palmitoyl-2-epoxyisoprostane-sn-glycero-3-PC ChEBI
PEIPC ChEBI
Registry Numbers Types Sources
10142964 Reaxys Registry Number Reaxys
10142964 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
15583011 PubMed citation Europe PMC
Last Modified
26 September 2017