CHEBI:179922 - PE(18:2(9Z,12Z)/14:1(9Z))

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ChEBI Name PE(18:2(9Z,12Z)/14:1(9Z))
ChEBI ID CHEBI:179922
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C37H68NO8P
Net Charge 0
Average Mass 685.924
Monoisotopic Mass 685.46826
InChI InChI=1S/C37H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h10-13,16-17,35H,3-9,14-15,18-34,38H2,1-2H3,(H,41,42)/b12-10-,13-11-,17-16-/t35-/m1/s1
InChIKey KNKLCYXFITTYGQ-CTBOXKONSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(OCCN)(O)=O
ChEBI Ontology
Outgoing PE(18:2(9Z,12Z)/14:1(9Z)) (CHEBI:179922) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual Xrefs Databases
24768550 ChemSpider
HMDB0009086 HMDB
LMGP02010656 LIPID MAPS
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