CHEBI:85796 - N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine
ChEBI ID CHEBI:85796
ChEBI ASCII Name N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine
Definition An N-acylphosphatidylethanolamine 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C49H92NO9P
Net Charge 0
Average Mass 870.22980
Monoisotopic Mass 869.65097
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)/b18-16-,23-22-/t46-/m1/s1
InChIKey CRESRYICDIWDAA-WAKCMLBPSA-N
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 (CHEBI:85796) has functional parent decanoic acid (CHEBI:30813)
N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85796) has functional parent hexadecanoic acid (CHEBI:15756)
N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85796) has functional parent linoleic acid (CHEBI:17351)
N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine (CHEBI:85796) is a N-acylphosphatidylethanolamine (CHEBI:61232)
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)
Incoming 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)
IUPAC Name
(18R)-15-hydroxy-10,15,21-trioxo-14,16,20-trioxa-11-aza-15λ5-phosphahexatriacontan-18-yl (9Z,12Z)-octadeca-9,12-dienoate
Synonym Source
N-decanoyl-1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine ChEBI
Registry Number Type Source
19897982 Reaxys Registry Number Reaxys
Last Modified
20 May 2015