CHEBI:229799 - ps(16:1(9z)/22:2(13z,16z))

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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(16:1(9z)/22:2(13z,16z))
ChEBI ID CHEBI:229799
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H80NO10P
Net Charge 0
Average Mass 814.095
Monoisotopic Mass 813.55198
InChI InChI=1S/C44H80NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13-14,16-18,40-41H,3-10,12,15,19-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,16-14-,18-17-/t40-,41+/m1/s1
InChIKey HLTSLFKLCKEHJR-FQQDVVKSSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). 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(16:1(9z)/22:2(13z,16z)) (CHEBI:229799) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
74875810 ChemSpider
HMDB0112366 HMDB
LMGP03010224 LIPID MAPS
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