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CHEBI:170712 - PS(18:3(6Z,9Z,12Z)/20:1(11Z))

ChEBI IDCHEBI:170712
ChEBI NamePS(18:3(6Z,9Z,12Z)/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H78NO10P
Net Charge0
Average Mass812.079
Monoisotopic Mass811.53633
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C44H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21,25,27,40-41H,3-11,13,15-16,20,22-24,26,28-39,45H2,1-2H3,(H,48,49)(H,50,51)/b14-12-,19-17-,21-18-,27-25-/t40-,41+/m1/s1
InChIKeyONAVEICYEBMEGM-HDPJWARNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
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(18:3(6Z,9Z,12Z)/20:1(11Z)) (CHEBI:170712) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875898ChemSpider
HMDB0112455HMDB
LMGP03010386LIPID MAPS