CHEBI:187551 - PE(12:0/20:5(5Z,8Z,11Z,14Z,17Z))

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ChEBI Name PE(12:0/20:5(5Z,8Z,11Z,14Z,17Z))
ChEBI ID CHEBI:187551
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C37H64NO8P
Net Charge 0
Average Mass 681.892
Monoisotopic Mass 681.43696
InChI InChI=1S/C37H64NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,22,24,35H,3-4,6,8-10,12,14,17,20-21,23,25-34,38H2,1-2H3,(H,41,42)/b7-5-,13-11-,16-15-,19-18-,24-22-/t35-/m1/s1
InChIKey ZGXMBNNSOJZZFB-WFRXKPIESA-N
SMILES P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC)(OCCN)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing PE(12:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:187551) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual Xrefs Databases
113375429 ChemSpider
LMGP02010376 LIPID MAPS
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