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CHEBI:170708 - PS(18:4(6Z,9Z,12Z,15Z)/20:0)

ChEBI IDCHEBI:170708
ChEBI NamePS(18:4(6Z,9Z,12Z,15Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H78NO10P
Net Charge0
Average Mass812.079
Monoisotopic Mass811.53633
SMILESCC/C=C\C/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)CCCCCCCCCCCCCCCCCCC
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/h6,8,12,14,18,21,25,27,40-41H,3-5,7,9-11,13,15-17,19-20,22-24,26,28-39,45H2,1-2H3,(H,48,49)(H,50,51)/b8-6-,14-12-,21-18-,27-25-/t40-,41+/m1/s1
InChIKeyLGOBKITZIDNRKZ-QKWILQRMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) 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(18:4(6Z,9Z,12Z,15Z)/20:0) (CHEBI:170708) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
(2S)-2-amino-3-[hydroxy-[(2R)-2-icosanoyloxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]phosphoryl]oxypropanoic acid
Manual XrefsDatabases
74875940ChemSpider
HMDB0112497HMDB
LMGP03010444LIPID MAPS