CHEBI:188097 - PS(19:0/20:4(5Z,8Z,11Z,14Z))

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(19:0/20:4(5Z,8Z,11Z,14Z))
ChEBI ID CHEBI:188097
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H80NO10P
Net Charge 0
Average Mass 826.106
Monoisotopic Mass 825.55198
InChI InChI=1S/C45H80NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)56-41(39-54-57(51,52)55-40-42(46)45(49)50)38-53-43(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,41-42H,3-10,12,14-16,18,20-22,24,26-28,30,32-40,46H2,1-2H3,(H,49,50)(H,51,52)/b13-11-,19-17-,25-23-,31-29-/t41-,42+/m1/s1
InChIKey SUELXNBFBJDTLR-KRVIBIKLSA-N
SMILES P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(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(19:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:188097) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-nonadecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Manual Xrefs Databases
113376337 ChemSpider
LMGP03010472 LIPID MAPS
View more database links