CHEBI:191294 - PE(14:0/18:2(9Z,12Z))

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ChEBI Name PE(14:0/18:2(9Z,12Z))
ChEBI ID CHEBI:191294
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H70NO8P
Net Charge 0
Average Mass 687.940
Monoisotopic Mass 687.48391
InChI InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h11,13,16-17,35H,3-10,12,14-15,18-34,38H2,1-2H3,(H,41,42)/b13-11-,17-16-/t35-/m1/s1
InChIKey HMARMWSETGYKDK-AOGVJQIJSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(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(14:0/18:2(9Z,12Z)) (CHEBI:191294) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual Xrefs Databases
24768334 ChemSpider
HMDB0008829 HMDB
LMGP02011246 LIPID MAPS
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