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CHEBI:168739 - PKOHA-PS

ChEBI IDCHEBI:168739
ChEBI NamePKOHA-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50NO12P
Net Charge0
Average Mass635.688
Monoisotopic Mass635.30706
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCC(=O)/C=C/C=O
InChIInChI=1S/C29H50NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27(33)39-21-25(42-28(34)19-18-24(32)16-15-20-31)22-40-43(37,38)41-23-26(30)29(35)36/h15-16,20,25-26H,2-14,17-19,21-23,30H2,1H3,(H,35,36)(H,37,38)/b16-15+/t25-,26+/m1/s1
InChIKeyANSQCCYWUSDLPO-QLRMLEDJSA-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)
PKOHA-PS (CHEBI:168739) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[(E)-4,7-dioxohept-5-enoyl]oxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
LMGP20040010LIPID MAPS