CHEBI:188208 - PS(22:4(7Z,10Z,13Z,16Z)/21:0)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 PS(22:4(7Z,10Z,13Z,16Z)/21:0)
ChEBI ID CHEBI:188208
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C49H88NO10P
Net Charge 0
Average Mass 882.214
Monoisotopic Mass 881.61459
InChI InChI=1S/C49H88NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-47(51)57-42-45(43-58-61(55,56)59-44-46(50)49(53)54)60-48(52)41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,28,30,45-46H,3-10,12,14-16,18,20-22,24,26-27,29,31-44,50H2,1-2H3,(H,53,54)(H,55,56)/b13-11-,19-17-,25-23-,30-28-/t45-,46+/m1/s1
InChIKey QYVKYVNFTBDNJB-WHWMSIQTSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
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 PS(22:4(7Z,10Z,13Z,16Z)/21:0) (CHEBI:188208) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-2-henicosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
113376515 ChemSpider
LMGP03010812 LIPID MAPS
View more database links