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CHEBI:230954 - PIP(18:0/PGF1alpha)

ChEBI IDCHEBI:230954
ChEBI NamePIP(18:0/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H88O19P2
Net Charge0
Average Mass1019.150
Monoisotopic Mass1018.53950
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CCCCCCC(=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/C47H88O19P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-27-40(51)62-32-35-33-63-68(60,61)66-47-45(56)44(55)42(53)36(26-22-19-20-24-28-41(52)64-35)38(49)31-39(50)37(30-29-34(48)25-21-6-4-2)43(54)46(47)65-67(57,58)59/h29-30,34-39,42-50,53-56H,3-28,31-33H2,1-2H3,(H,60,61)(H2,57,58,59)/b30-29+/t34-,35+,36-,37-,38-,39+,42+,43+,44-,45+,46+,47-/m0/s1
InChIKeyFFLAVTWYRRTXHD-MDGPSDRPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(18:0/PGF1alpha) (CHEBI:230954) 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-[(E,3S)-3-hydroxyoct-1-enyl]-3,8-dioxo-21-phosphonooxy-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-6-yl]methyl octadecanoate
Manual XrefsDatabases
HMDB0278822HMDB