CHEBI:191296 - PE(15:0/18:3(6Z,9Z,12Z))

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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(15:0/18:3(6Z,9Z,12Z))
ChEBI ID CHEBI:191296
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H70NO8P
Net Charge 0
Average Mass 699.951
Monoisotopic Mass 699.48391
InChI InChI=1S/C38H70NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,36H,3-10,12,14-16,19-20,22,24-35,39H2,1-2H3,(H,42,43)/b13-11-,18-17-,23-21-/t36-/m1/s1
InChIKey GWYYRAKVDNZTNO-XXMBNBOLSA-N
SMILES P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC)(OCCN)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in hTERT-RPE1 cell (BTO:0004790). See: MetaboLights Study
ChEBI Ontology
Outgoing PE(15:0/18:3(6Z,9Z,12Z)) (CHEBI:191296) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual Xrefs Databases
24768399 ChemSpider
HMDB0008896 HMDB
LMGP02010459 LIPID MAPS
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