CHEBI:230193 - PS(20:1(11Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))

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ChEBI Name PS(20:1(11Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))
ChEBI ID CHEBI:230193
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H80NO11P
Net Charge 0
Average Mass 878.138
Monoisotopic Mass 877.54690
InChI InChI=1S/C48H80NO11P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-34-38-46(51)57-40-44(41-58-61(55,56)59-42-45(49)48(53)54)60-47(52)39-35-31-33-37-43(50)36-32-29-27-25-23-21-16-14-12-10-8-6-4-2/h6,8,12,14,17-18,21,23,27,29,31-33,36,43-45,50H,3-5,7,9-11,13,15-16,19-20,22,24-26,28,30,34-35,37-42,49H2,1-2H3,(H,53,54)(H,55,56)/b8-6-,14-12-,18-17-,23-21-,29-27-,33-31-,36-32-/t43?,44-,45+/m1/s1
InChIKey DUKLFBFMEKALNJ-SVZALANUSA-N
SMILES P(OC[C@H](OC(=O)CC/C=C\CC(O)\C=C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) 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(20:1(11Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) (CHEBI:230193) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(4Z,8Z,10Z,13Z,16Z,19Z)-7-hydroxydocosa-4,8,10,13,16,19-hexaenoyl]oxy-3-[(Z)-icos-11-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual Xref Database
HMDB0282227 HMDB
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