CHEBI:137307 - PE(18:3(6Z,9Z,12Z)/24:1(15Z))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name PE(18:3(6Z,9Z,12Z)/24:1(15Z))
ChEBI ID CHEBI:137307
ChEBI ASCII Name PE(18:3(6Z,9Z,12Z)/24:1(15Z))
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C47H86NO8P
Net Charge 0
Average Mass 824.163
Monoisotopic Mass 823.60911
InChI InChI=1S/C47H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h12,14,17-19,25,29,31,45H,3-11,13,15-16,20-24,26-28,30,32-44,48H2,1-2H3,(H,51,52)/b14-12-,19-17-,25-18-,31-29-/t45-/m1/s1
InChIKey TXHMNLOYTLTKSL-VQUPJGPGSA-N
SMILES [C@](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)([H])COP(OCCN)(O)=O
ChEBI Ontology
Outgoing PE(18:3(6Z,9Z,12Z)/24:1(15Z)) (CHEBI:137307) is a phosphatidylethanolamine 42:4 zwitterion (CHEBI:71751)
Synonym Source
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(15Z-tetracosenoyl)-glycero-3-phosphoethanolamine ChEBI
Manual Xref Database
HMDB0009146 HMDB
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Last Modified
05 June 2017