CHEBI:188040 - PS(20:4(5Z,8Z,11Z,14Z)/19:0)

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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(20:4(5Z,8Z,11Z,14Z)/19:0)
ChEBI ID CHEBI:188040
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/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-43(47)53-38-41(39-54-57(51,52)55-40-42(46)45(49)50)56-44(48)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23-24,28,30,41-42H,3-10,12,14-16,18,20-22,25-27,29,31-40,46H2,1-2H3,(H,49,50)(H,51,52)/b13-11-,19-17-,24-23-,30-28-/t41-,42+/m1/s1
InChIKey BASMKJBLQDFJQY-ACCDYXMWSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCC/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(20:4(5Z,8Z,11Z,14Z)/19:0) (CHEBI:188040) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-2-nonadecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Manual Xrefs Databases
113376419 ChemSpider
LMGP03010636 LIPID MAPS
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