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CHEBI:230896 - PI(6 keto-PGF1alpha/20:2(11Z,14Z))

Default Structure
ChEBI IDCHEBI:230896
ChEBI NamePI(6 keto-PGF1alpha/20:2(11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H85O17P
Net Charge0
Average Mass977.176
Monoisotopic Mass976.55244
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=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/C49H85O17P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-28-43(55)65-37-33-63-42(54)27-24-23-26-36(51)31-39-41(53)32-40(52)38(30-29-35(50)25-21-6-4-2)44(56)47(59)49(48(60)46(58)45(39)57)66-67(61,62)64-34-37/h9-10,12-13,29-30,35,37-41,44-50,52-53,56-60H,3-8,11,14-28,31-34H2,1-2H3,(H,61,62)/b10-9-,13-12-,30-29+/t35-,37+,38-,39-,40+,41-,44+,45+,46-,47+,48+,49+/m0/s1
InChIKeyGCWDQQGGIUZHHS-VTWNSVOCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PI(6 keto-PGF1alpha/20:2(11Z,14Z)) (CHEBI:230896) is a icosanoid (CHEBI:23899)
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] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
117230767ChemSpider
HMDB0277200HMDB