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CHEBI:230103 - CDP-DG(i-19:0/PGF2alpha)

ChEBI IDCHEBI:230103
ChEBI NameCDP-DG(i-19:0/PGF2alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H89N3O18P2
Net Charge0
Average Mass1094.224
Monoisotopic Mass1093.56164
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)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCC=CC[C@H]([C@H](n3ccc(N)nc3=O)O2)[C@@H](O)C[C@H]1O
InChIInChI=1S/C51H89N3O18P2/c1-4-5-19-25-38(55)29-30-40-42(56)33-43(57)41-26-21-17-18-23-28-47(59)70-39(34-67-46(58)27-22-16-14-12-10-8-6-7-9-11-13-15-20-24-37(2)3)35-68-73(63,64)72-74(65,66)69-36-44(49(61)48(40)60)71-50(41)54-32-31-45(52)53-51(54)62/h17,21,29-32,37-44,48-50,55-57,60-61H,4-16,18-20,22-28,33-36H2,1-3H3,(H,63,64)(H,65,66)(H2,52,53,62)/t38-,39+,40-,41-,42+,43-,44+,48-,49+,50+/m0/s1
InChIKeyPAVLXWGAUFYTSI-BNUKDSQPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
CDP-DG(i-19:0/PGF2alpha) (CHEBI:230103) 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-[(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 17-methyloctadecanoate