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CHEBI:176982 - PI(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Default Structure
ChEBI IDCHEBI:176982
ChEBI NamePI(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H75O13P
Net Charge0
Average Mass867.067
Monoisotopic Mass866.49453
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C46H75O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h5,7,10-13,16-19,21,23,27,29,38,41-46,49-53H,3-4,6,8-9,14-15,20,22,24-26,28,30-37H2,1-2H3,(H,54,55)/b7-5-,12-10-,13-11-,18-16-,19-17-,23-21-,29-27-/t38-,41?,42-,43?,44?,45?,46?/m1/s1
InChIKeyGWPGHNOXVCNIHT-FJSXWZPTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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)
PI(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:176982) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name 
[(2R)-1-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
LMGP06010269LIPID MAPS