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CHEBI:231056 - CDP-DG(i-20:0/PGF2alpha)

ChEBI IDCHEBI:231056
ChEBI NameCDP-DG(i-20:0/PGF2alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H91N3O18P2
Net Charge0
Average Mass1108.251
Monoisotopic Mass1107.57729
SMILESCCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)[C@H](O)[C@H]2COP(=O)(O)OP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCC=CC[C@H]([C@H](n3ccc(N)nc3=O)O2)[C@@H](O)C[C@H]1O
InChIInChI=1S/C52H91N3O18P2/c1-4-5-20-26-39(56)30-31-41-43(57)34-44(58)42-27-22-18-19-24-29-48(60)71-40(35-68-47(59)28-23-17-15-13-11-9-7-6-8-10-12-14-16-21-25-38(2)3)36-69-74(64,65)73-75(66,67)70-37-45(50(62)49(41)61)72-51(42)55-33-32-46(53)54-52(55)63/h18,22,30-33,38-45,49-51,56-58,61-62H,4-17,19-21,23-29,34-37H2,1-3H3,(H,64,65)(H,66,67)(H2,53,54,63)/b22-18?,31-30-/t39-,40+,41-,42-,43+,44-,45+,49-,50+,51+/m0/s1
InChIKeyPGDMDDFKSLADCO-ITKRLUTBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
CDP-DG(i-20:0/PGF2alpha) (CHEBI:231056) is a organic diphosphate (CHEBI:62889)
IUPAC Name 
[(1R,9R,18S,19S,21R,22S,23S,24S,26R)-26-(4-amino-2-oxopyrimidin-1-yl)-4,6,19,21,23,24-hexahydroxy-22-[(Z,3S)-3-hydroxyoct-1-enyl]-4,6,11-trioxo-3,5,7,10,25-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[16.6.2]hexacos-15-en-9-yl]methyl 18-methylnonadecanoate