CHEBI:85295 - N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−)
ChEBI ID CHEBI:85295
ChEBI ASCII Name N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1-)
Definition An N-acylphosphatidylethanolamine(1−) in which the N-acyl group is specified as capryl (decanoyl) while the phosphatidyl acyl groups at position 1 and 2 are specified as palmitoyl (hexadecanoyl) and linoleoyl (9Z,12Z-octadecadienoyl) respectively; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C49H91NO9P
Net Charge -1
Average Mass 869.22250
Monoisotopic Mass 868.64369
InChI InChI=1S/C49H92NO9P/c1-4-7-10-13-16-18-20-22-23-25-27-29-32-35-38-41-49(53)59-46(44-56-48(52)40-37-34-31-28-26-24-21-19-17-14-11-8-5-2)45-58-60(54,55)57-43-42-50-47(51)39-36-33-30-15-12-9-6-3/h16,18,22-23,46H,4-15,17,19-21,24-45H2,1-3H3,(H,50,51)(H,54,55)/p-1/b18-16-,23-22-/t46-/m1/s1
InChIKey CRESRYICDIWDAA-WAKCMLBPSA-M
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCCNC(=O)CCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
ChEBI Ontology
Outgoing N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−) (CHEBI:85295) is a N-acylphosphatidylethanolamine(1−) (CHEBI:62537)
N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−) (CHEBI:85295) is conjugate base of N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85796)
Incoming N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85796) is conjugate acid of N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1−) (CHEBI:85295)
IUPAC Name
2-(decanoylamino)ethyl (2R)-3-(hexadecanoyloxy)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl phosphate
Synonyms Sources
N-decanoyl-1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine UniProt
N-decanoyl-1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine(1−) ChEBI
Citation Waiting for Citations Type Source
16527816 PubMed citation SUBMITTER
Last Modified
11 April 2018