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CHEBI:230934 - PIP(22:3(10Z,13Z,16Z)/6 keto-PGF1alpha)

Default Structure
ChEBI IDCHEBI:230934
ChEBI NamePIP(22:3(10Z,13Z,16Z)/6 keto-PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H90O20P2
Net Charge0
Average Mass1097.220
Monoisotopic Mass1096.55007
SMILESCCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=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/C52H90O20P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30-45(57)68-36-40-37-69-74(66,67)72-52-50(62)49(61)47(59)42(34-39(54)29-26-27-31-46(58)70-40)44(56)35-43(55)41(33-32-38(53)28-24-6-4-2)48(60)51(52)71-73(63,64)65/h10-11,13-14,16-17,32-33,38,40-44,47-53,55-56,59-62H,3-9,12,15,18-31,34-37H2,1-2H3,(H,66,67)(H2,63,64,65)/b11-10-,14-13-,17-16-,33-32-/t38-,40+,41-,42-,43+,44-,47+,48+,49-,50+,51+,52-/m0/s1
InChIKeyUTLNEARCNUCUOJ-YDZDAELCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(22:3(10Z,13Z,16Z)/6 keto-PGF1alpha) (CHEBI:230934) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(1S,6R,15S,16S,18R,19S,20R,21R,22R,23S,24R)-3,16,18,20,22,23,24-heptahydroxy-19-[(Z,3S)-3-hydroxyoct-1-enyl]-3,8,13-trioxo-21-phosphonooxy-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-6-yl]methyl (10Z,13Z,16Z)-tricosa-10,13,16-trienoate
Manual XrefsDatabases
HMDB0280311HMDB