CHEBI:169883 - PS(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))

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ChEBI Name PS(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))
ChEBI ID CHEBI:169883
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H70NO10P
Net Charge 0
Average Mass 804.015
Monoisotopic Mass 803.47373
InChI InChI=1S/C44H70NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,27,29,40-41H,3-4,9-10,15-16,20,24-26,28,30-39,45H2,1-2H3,(H,48,49)(H,50,51)/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,29-27-/t40-,41+/m1/s1
InChIKey SROYBUJDYMEIOS-XRQFFWBCSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@H](N)C(O)=O)(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) (CHEBI:169883) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
(2S)-2-amino-3-[hydroxy-[(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual Xrefs Databases
74876131 ChemSpider
HMDB0112688 HMDB
LMGP03010662 LIPID MAPS
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