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CHEBI:230221 - PI(6 keto-PGF1alpha/22:2(13Z,16Z))

Default Structure
ChEBI IDCHEBI:230221
ChEBI NamePI(6 keto-PGF1alpha/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H89O17P
Net Charge0
Average Mass1005.230
Monoisotopic Mass1004.58374
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H]1COC(=O)CCCCC(=O)C[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)OC1)[C@H](O)[C@H](O)[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]2O
InChIInChI=1S/C51H89O17P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-30-45(57)67-39-35-65-44(56)29-26-25-28-38(53)33-41-43(55)34-42(54)40(32-31-37(52)27-23-6-4-2)46(58)49(61)51(50(62)48(60)47(41)59)68-69(63,64)66-36-39/h9-10,12-13,31-32,37,39-43,46-52,54-55,58-62H,3-8,11,14-30,33-36H2,1-2H3,(H,63,64)/b10-9-,13-12-,32-31+/t37-,39+,40-,41-,42+,43-,46+,47+,48-,49+,50+,51+/m0/s1
InChIKeyNGJMGHGIPBHTIY-FZARZZKWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(6 keto-PGF1alpha/22:2(13Z,16Z)) (CHEBI:230221) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1R,6R,16S,17S,19R,20S,21R,22R,23R,24S,25R)-3,17,19,21,22,23,24,25-octahydroxy-20-[(E,3S)-3-hydroxyoct-1-enyl]-3,9,14-trioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosan-6-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
117231287ChemSpider
HMDB0277720HMDB