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CHEBI:230955 - PIP(22:3(10Z,13Z,16Z)/PGF1alpha)

ChEBI IDCHEBI:230955
ChEBI NamePIP(22:3(10Z,13Z,16Z)/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H92O19P2
Net Charge0
Average Mass1083.237
Monoisotopic Mass1082.57080
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](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/C52H92O19P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-32-45(56)67-37-40-38-68-73(65,66)71-52-50(61)49(60)47(58)41(31-27-24-25-29-33-46(57)69-40)43(54)36-44(55)42(35-34-39(53)30-26-6-4-2)48(59)51(52)70-72(62,63)64/h10-11,13-14,16-17,34-35,39-44,47-55,58-61H,3-9,12,15,18-33,36-38H2,1-2H3,(H,65,66)(H2,62,63,64)/b11-10-,14-13-,17-16-,35-34?/t39-,40+,41-,42-,43-,44+,47+,48+,49-,50+,51+,52-/m0/s1
InChIKeyCXFGFYJKGXAUJJ-JLHBSGSSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(22:3(10Z,13Z,16Z)/PGF1alpha) (CHEBI:230955) 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-dioxo-21-phosphonooxy-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosan-6-yl]methyl (10Z,13Z,16Z)-tricosa-10,13,16-trienoate