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CHEBI:185793 - PS-PS

ChEBI IDCHEBI:185793
ChEBI NamePS-PS
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H48NO12P
Net Charge0
Average Mass597.639
Monoisotopic Mass597.29141
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCC(=O)O
InChIInChI=1S/C26H48NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(30)36-18-21(39-25(31)17-16-23(28)29)19-37-40(34,35)38-20-22(27)26(32)33/h21-22H,2-20,27H2,1H3,(H,28,29)(H,32,33)(H,34,35)/t21-,22+/m1/s1
InChIKeyNVHKBSKYGPFWOE-YADHBBJMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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-PS (CHEBI:185793) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
4-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4-oxobutanoic acid
Manual XrefsDatabases
113380896ChemSpider
LMGP20040018LIPID MAPS