CHEBI:170744 - PE(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))

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ChEBI Name PE(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
ChEBI ID CHEBI:170744
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H78NO8P
Net Charge 0
Average Mass 792.092
Monoisotopic Mass 791.54651
InChI InChI=1S/C45H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,30,32,43H,3-10,12,14-16,21-22,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-,25-23-,26-24-,32-30-/t43-/m1/s1
InChIKey ZCSXAGHHPGSHEO-LAWLZPLCSA-N
SMILES P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Metabolite of Species Details
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing PE(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) (CHEBI:170744) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual Xrefs Databases
24768815 ChemSpider
HMDB0009364 HMDB
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