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CHEBI:231259 - PIP(16:1(9Z)/TXB2)

ChEBI IDCHEBI:231259
ChEBI NamePIP(16:1(9Z)/TXB2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H80O20P2
Net Charge0
Average Mass1003.063
Monoisotopic Mass1002.47182
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1COP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C/C=C\CCCC(=O)O1)[C@@H](O)CC(O)O[C@H](C=C[C@@H](O)CCCCC)[C@@H](O)[C@H]2OP(=O)(O)O
InChIInChI=1S/C45H80O20P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-25-37(48)60-30-33-31-61-67(58,59)65-45-43(54)42(53)40(51)34(24-20-17-18-22-26-38(49)62-33)35(47)29-39(50)63-36(28-27-32(46)23-19-6-4-2)41(52)44(45)64-66(55,56)57/h10-11,17,20,27-28,32-36,39-47,50-54H,3-9,12-16,18-19,21-26,29-31H2,1-2H3,(H,58,59)(H2,55,56,57)/b11-10-,20-17-,28-27?/t32-,33+,34-,35-,36+,39?,40+,41+,42-,43+,44+,45-/m0/s1
InChIKeyAYZMMAOBFBQLEP-SRNXYZBBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(16:1(9Z)/TXB2) (CHEBI:231259) is a glycerophospholipid (CHEBI:37739)
IUPAC Name 
[(1S,6R,12Z,15S,16S,20R,21R,22R,23R,24S,25R)-3,16,18,21,23,24,25-heptahydroxy-20-[(3S)-3-hydroxyoct-1-enyl]-3,8-dioxo-22-phosphonooxy-2,4,7,19-tetraoxa-3lambda5-phosphabicyclo[13.7.3]pentacos-12-en-6-yl]methyl (Z)-hexadec-9-enoate