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CHEBI:231070 - PIP(22:2(13Z,16Z)/PGF1alpha)

ChEBI IDCHEBI:231070
ChEBI NamePIP(22:2(13Z,16Z)/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H92O19P2
Net Charge0
Average Mass1071.226
Monoisotopic Mass1070.57080
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](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/C51H92O19P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-31-44(55)66-36-39-37-67-72(64,65)70-51-49(60)48(59)46(57)40(30-26-23-24-28-32-45(56)68-39)42(53)35-43(54)41(34-33-38(52)29-25-6-4-2)47(58)50(51)69-71(61,62)63/h9-10,12-13,33-34,38-43,46-54,57-60H,3-8,11,14-32,35-37H2,1-2H3,(H,64,65)(H2,61,62,63)/b10-9-,13-12-,34-33?/t38-,39+,40-,41-,42-,43+,46+,47+,48-,49+,50+,51-/m0/s1
InChIKeyKVYGQQWQHJDIQO-VARUYJJSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(22:2(13Z,16Z)/PGF1alpha) (CHEBI:231070) 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 (13Z,16Z)-docosa-13,16-dienoate