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CHEBI:187168 - PIP[4'](17:0/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:187168
ChEBI NamePIP[4'](17:0/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H82O16P2
Net Charge0
Average Mass953.094
Monoisotopic Mass952.50781
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)[C@@H](O)C1O
InChIInChI=1S/C46H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h11,13,17,19,21,23,27,29,38,41-46,49-52H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,19-17-,23-21-,29-27-/t38-,41+,42?,43?,44?,45?,46?/m1/s1
InChIKeyWSLBJQQQZZTFBA-MLUQOLBVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PIP[4'](17:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:187168) is a glycerophosphoinositol phosphate (CHEBI:35771)
IUPAC Name 
[(2R)-1-heptadecanoyloxy-3-[hydroxy-[(3S)-2,3,5,6-tetrahydroxy-4-phosphonooxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
7826097ChemSpider
LMGP07010003LIPID MAPS