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CHEBI:230087 - PIP(18:1(11Z)/TXB2)

Default Structure
ChEBI IDCHEBI:230087
ChEBI NamePIP(18:1(11Z)/TXB2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H84O20P2
Net Charge0
Average Mass1031.117
Monoisotopic Mass1030.50312
SMILESCCCCCC/C=C\CCCCCCCCCC(=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/C47H84O20P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-27-39(50)62-32-35-33-63-69(60,61)67-47-45(56)44(55)42(53)36(26-22-19-20-24-28-40(51)64-35)37(49)31-41(52)65-38(30-29-34(48)25-21-6-4-2)43(54)46(47)66-68(57,58)59/h10-11,19,22,29-30,34-38,41-49,52-56H,3-9,12-18,20-21,23-28,31-33H2,1-2H3,(H,60,61)(H2,57,58,59)/b11-10-,22-19-,30-29?/t34-,35+,36-,37-,38+,41?,42+,43+,44-,45+,46+,47-/m0/s1
InChIKeyRVRUDKRQYUCAAU-NQICWEQASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PIP(18:1(11Z)/TXB2) (CHEBI:230087) is a organic molecular entity (CHEBI:50860)
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)-octadec-11-enoate