CHEBI:190847 - PE(16:0/18:3(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(16:0/18:3(6Z,9Z,12Z))
ChEBI ID CHEBI:190847
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H72NO8P
Net Charge 0
Average Mass 713.978
Monoisotopic Mass 713.49956
InChI InChI=1S/C39H72NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,37H,3-10,12,14-16,19-21,23,25-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-,24-22-/t37-/m1/s1
InChIKey LDZPTHJGVVQFQZ-QKHBFQRPSA-N
SMILES P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(O)=O
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing PE(16:0/18:3(6Z,9Z,12Z)) (CHEBI:190847) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual Xrefs Databases
24768425 ChemSpider
HMDB0008929 HMDB
LMGP02011224 LIPID MAPS
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