CHEBI:178641 - PS(22:2(13Z,16Z)/14:0)

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(22:2(13Z,16Z)/14:0)
ChEBI ID CHEBI:178641
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H78NO10P
Net Charge 0
Average Mass 788.057
Monoisotopic Mass 787.53633
InChI InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-23-14-12-10-8-6-4-2/h11,13,16-17,38-39H,3-10,12,14-15,18-37,43H2,1-2H3,(H,46,47)(H,48,49)/b13-11-,17-16-/t38-,39+/m1/s1
InChIKey WUYWGUMWHYNCES-OAWFJHOXSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(OC[C@H](N)C(O)=O)(O)=O
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(22:2(13Z,16Z)/14:0) (CHEBI:178641) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
74876204 ChemSpider
HMDB0112761 HMDB
LMGP03010758 LIPID MAPS
View more database links