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CHEBI:230753 - CDP-DG(i-14:0/PGF1alpha)

ChEBI IDCHEBI:230753
ChEBI NameCDP-DG(i-14:0/PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H81N3O18P2
Net Charge0
Average Mass1026.105
Monoisotopic Mass1025.49904
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)CCCCCCCCCCC(C)C)OC(=O)CCCCCC[C@H]([C@H](n3ccc(N)nc3=O)O2)[C@@H](O)C[C@H]1O
InChIInChI=1S/C46H81N3O18P2/c1-4-5-14-20-33(50)24-25-35-37(51)28-38(52)36-21-16-12-13-18-23-42(54)65-34(29-62-41(53)22-17-11-9-7-6-8-10-15-19-32(2)3)30-63-68(58,59)67-69(60,61)64-31-39(44(56)43(35)55)66-45(36)49-27-26-40(47)48-46(49)57/h24-27,32-39,43-45,50-52,55-56H,4-23,28-31H2,1-3H3,(H,58,59)(H,60,61)(H2,47,48,57)/b25-24-/t33-,34+,35-,36-,37+,38-,39+,43-,44+,45+/m0/s1
InChIKeyCUEACLWBSKKTNO-UIWMKDIRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
CDP-DG(i-14:0/PGF1alpha) (CHEBI:230753) 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]hexacosan-9-yl]methyl 12-methyltridecanoate