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CHEBI:231047 - PIP(22:2(13Z,16Z)/6 keto-PGF1alpha)

ChEBI IDCHEBI:231047
ChEBI NamePIP(22:2(13Z,16Z)/6 keto-PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H90O20P2
Net Charge0
Average Mass1085.209
Monoisotopic Mass1084.55007
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CC(=O)CCCCC(=O)O1)[C@@H](O)C[C@@H](O)[C@H](C=C[C@@H](O)CCCCC)[C@@H](O)[C@H]2OP(=O)(O)O
InChIInChI=1S/C51H90O20P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29-44(56)67-35-39-36-68-73(65,66)71-51-49(61)48(60)46(58)41(33-38(53)28-25-26-30-45(57)69-39)43(55)34-42(54)40(32-31-37(52)27-23-6-4-2)47(59)50(51)70-72(62,63)64/h9-10,12-13,31-32,37,39-43,46-52,54-55,58-61H,3-8,11,14-30,33-36H2,1-2H3,(H,65,66)(H2,62,63,64)/b10-9-,13-12-,32-31?/t37-,39+,40-,41-,42+,43-,46+,47+,48-,49+,50+,51-/m0/s1
InChIKeyPKWPUFRKTABAGZ-ZTLPYVKXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(22:2(13Z,16Z)/6 keto-PGF1alpha) (CHEBI:231047) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1S,6R,15S,16S,18R,19S,20R,21R,22R,23S,24R)-3,16,18,20,22,23,24-heptahydroxy-19-[(3S)-3-hydroxyoct-1-enyl]-3,8,13-trioxo-21-phosphonooxy-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-6-yl]methyl (13Z,16Z)-docosa-13,16-dienoate