CHEBI:79098 - 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine
ChEBI ID CHEBI:79098
ChEBI ASCII Name 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine
Definition A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as octadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C46H78NO10P
Net Charge 0
Average Mass 836.08600
Monoisotopic Mass 835.53633
InChI InChI=1S/C46H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,42-43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t42-,43+/m1/s1
InChIKey LYYHRRPTEXPVOR-SYEOQEKUSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via phosphatidyl-L-serine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine (CHEBI:79098) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine (CHEBI:79098) is a 3-sn-phosphatidyl-L-serine (CHEBI:11750)
1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine (CHEBI:79098) is conjugate acid of 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1−) (CHEBI:78265)
Incoming 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine(1−) (CHEBI:78265) is conjugate base of 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine (CHEBI:79098)
IUPAC Name
O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine
Synonyms Sources
1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine ChEBI
Phosphatidylserine(18:0/22:6) HMDB
Phosphatidylserine(18:0/22:6n3) HMDB
Phosphatidylserine(18:0/22:6w3) HMDB
Phosphatidylserine(40:6) HMDB
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) LIPID MAPS
PS(18:0/22:6) HMDB
PS(18:0/22:6) LIPID MAPS
PS(18:0/22:6n3) HMDB
PS(18:0/22:6w3) HMDB
PS(40:6) HMDB
PSer(18:0/22:6) HMDB
PSer(18:0/22:6n3) HMDB
PSer(18:0/22:6w3) HMDB
PSer(40:6) HMDB
Manual Xrefs Databases
HMDB0010167 HMDB
LMGP03010040 LIPID MAPS
View more database links
Last Modified
23 October 2015