CHEBI:188030 - PE(20:3(8Z,11Z,14Z)/19:1(9Z))

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PE(20:3(8Z,11Z,14Z)/19:1(9Z))
ChEBI ID CHEBI:188030
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C44H80NO8P
Net Charge 0
Average Mass 782.097
Monoisotopic Mass 781.56216
InChI InChI=1S/C44H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45)53-44(47)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22-24,42H,3-10,12,14-16,18,21,25-41,45H2,1-2H3,(H,48,49)/b13-11-,19-17-,22-20-,24-23-/t42-/m1/s1
InChIKey IWDHLFUMRWIRQI-ZQMGPOBSSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(OCCN)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing PE(20:3(8Z,11Z,14Z)/19:1(9Z)) (CHEBI:188030) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-nonadec-9-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual Xrefs Databases
113375738 ChemSpider
LMGP02010920 LIPID MAPS
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