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CHEBI:168608 - PS(14:0/12:0)

Default Structure
ChEBI IDCHEBI:168608
ChEBI NamePS(14:0/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H62NO10P
Net Charge0
Average Mass651.819
Monoisotopic Mass651.41113
SMILESCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C32H62NO10P/c1-3-5-7-9-11-13-14-16-17-19-21-23-30(34)40-25-28(26-41-44(38,39)42-27-29(33)32(36)37)43-31(35)24-22-20-18-15-12-10-8-6-4-2/h28-29H,3-27,33H2,1-2H3,(H,36,37)(H,38,39)/t28-,29+/m1/s1
InChIKeyIDOKDSPXZQQEDC-WDYNHAJCSA-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)
PS(14:0/12:0) (CHEBI:168608) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-dodecanoyloxy-3-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
LMGP03010931LIPID MAPS