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CHEBI:168165 - PA-PS

ChEBI IDCHEBI:168165
ChEBI NamePA-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H58NO12P
Net Charge0
Average Mass667.774
Monoisotopic Mass667.36966
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C31H58NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-29(35)41-23-26(24-42-45(39,40)43-25-27(32)31(37)38)44-30(36)22-19-16-13-14-17-20-28(33)34/h26-27H,2-25,32H2,1H3,(H,33,34)(H,37,38)(H,39,40)/t26-,27+/m1/s1
InChIKeyRWDMOHBZJXRXIE-SXOMAYOGSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
PA-PS (CHEBI:168165) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
9-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-9-oxononanoic acid
Manual XrefsDatabases
LMGP20040014LIPID MAPS