CHEBI:180795 - PS(20:3(5Z,8Z,11Z)/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(20:3(5Z,8Z,11Z)/24:0)
ChEBI ID CHEBI:180795
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C50H92NO10P
Net Charge 0
Average Mass 898.257
Monoisotopic Mass 897.64589
InChI InChI=1S/C50H92NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(53)61-46(44-59-62(56,57)60-45-47(51)50(54)55)43-58-48(52)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20,27,29,33,35,46-47H,3-17,19,21-26,28,30-32,34,36-45,51H2,1-2H3,(H,54,55)(H,56,57)/b20-18-,29-27-,35-33-/t46-,47+/m1/s1
InChIKey UQOKHQYLTIAHNP-DAINXZMNSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). 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(20:3(5Z,8Z,11Z)/24:0) (CHEBI:180795) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-2-tetracosanoyloxypropoxy]phosphoryl]oxypropanoic acid
Manual Xrefs Databases
74876062 ChemSpider
HMDB0112619 HMDB
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