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CHEBI:230216 - PIP(TXB2/22:2(13Z,16Z))

ChEBI IDCHEBI:230216
ChEBI NamePIP(TXB2/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H90O20P2
Net Charge0
Average Mass1085.209
Monoisotopic Mass1084.55007
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H]1COC(=O)CCCC=CC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)(O)OC1)[C@H](OP(=O)(O)O)[C@H](O)[C@@H](/C=C/[C@@H](O)CCCCC)OC(O)C[C@@H]2O
InChIInChI=1S/C51H90O20P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-32-44(55)68-39-36-66-43(54)31-27-24-23-26-30-40-41(53)35-45(56)69-42(34-33-38(52)29-25-6-4-2)47(58)50(70-72(61,62)63)51(49(60)48(59)46(40)57)71-73(64,65)67-37-39/h9-10,12-13,23,26,33-34,38-42,45-53,56-60H,3-8,11,14-22,24-25,27-32,35-37H2,1-2H3,(H,64,65)(H2,61,62,63)/b10-9-,13-12-,26-23?,34-33+/t38-,39+,40-,41-,42+,45?,46+,47+,48-,49+,50+,51-/m0/s1
InChIKeyJHHHDZIGNSLFKE-RWOMZSDVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(TXB2/22:2(13Z,16Z)) (CHEBI:230216) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1S,6R,16S,17S,21R,22R,23R,24R,25S,26R)-3,17,19,22,24,25,26-heptahydroxy-21-[(E,3S)-3-hydroxyoct-1-enyl]-3,9-dioxo-23-phosphonooxy-2,4,8,20-tetraoxa-3lambda5-phosphabicyclo[14.7.3]hexacos-13-en-6-yl] (13Z,16Z)-docosa-13,16-dienoate