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CHEBI:172859 - PIP(16:0/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:172859
ChEBI NamePIP(16:0/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H80O16P2
Net Charge0
Average Mass939.067
Monoisotopic Mass938.49216
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O
InChIInChI=1S/C45H80O16P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11,13,17-18,20,22,26,28,37,40-45,48-51H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,18-17-,22-20-,28-26-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
InChIKeyQNWUGTOTQIGTJN-RFBUQXKESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
PIP(16:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:172859) is a glycerophosphoinositol phosphate (CHEBI:35771)
IUPAC Name 
[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(1S,5R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
C00626KEGG COMPOUND
24767813ChemSpider
HMDB0009931HMDB