CHEBI:185732 - PS(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))

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ChEBI Name PS(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))
ChEBI ID CHEBI:185732
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H80NO10P
Net Charge 0
Average Mass 862.139
Monoisotopic Mass 861.55198
InChI InChI=1S/C48H80NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(50)56-41-44(42-57-60(54,55)58-43-45(49)48(52)53)59-47(51)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,44-45H,3-10,15-16,21,23,25,30-43,49H2,1-2H3,(H,52,53)(H,54,55)/b13-11-,14-12-,19-17-,20-18-,24-22-,28-26-,29-27-/t44-,45+/m1/s1
InChIKey XURVVLJXKRLGNB-ZZUNLIRJSA-N
SMILES P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCC/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
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)) (CHEBI:185732) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
74876247 ChemSpider
HMDB0112804 HMDB
LMGP03010809 LIPID MAPS
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