CHEBI:169900 - PS(22:5(7Z,10Z,13Z,16Z,19Z)/24:0)

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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(22:5(7Z,10Z,13Z,16Z,19Z)/24:0)
ChEBI ID CHEBI:169900
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C52H92NO10P
Net Charge 0
Average Mass 922.279
Monoisotopic Mass 921.64589
InChI InChI=1S/C52H92NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(55)63-48(46-61-64(58,59)62-47-49(53)52(56)57)45-60-50(54)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,31,33,48-49H,3-5,7,9-11,13,15-17,19,21-24,26,28-30,32,34-47,53H2,1-2H3,(H,56,57)(H,58,59)/b8-6-,14-12-,20-18-,27-25-,33-31-/t48-,49+/m1/s1
InChIKey MKSYSIVIOHRRGR-WYCZAFIYSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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(22:5(7Z,10Z,13Z,16Z,19Z)/24:0) (CHEBI:169900) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-tetracosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
74876305 ChemSpider
HMDB0112862 HMDB
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