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CHEBI:230054 - CDP-DG(5-iso PGF2VI/i-19:0)

ChEBI IDCHEBI:230054
ChEBI NameCDP-DG(5-iso PGF2VI/i-19:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H85N3O18P2
Net Charge0
Average Mass1066.170
Monoisotopic Mass1065.53034
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](OC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)C/C=C\C[C@@H]([C@H](n3ccc(N)nc3=O)O2)[C@@H](O)C[C@H]1O
InChIInChI=1S/C49H85N3O18P2/c1-4-5-17-23-36(53)27-28-38-40(54)31-41(55)39-24-20-21-25-44(56)65-32-37(68-45(57)26-19-16-14-12-10-8-6-7-9-11-13-15-18-22-35(2)3)33-66-71(61,62)70-72(63,64)67-34-42(47(59)46(38)58)69-48(39)52-30-29-43(50)51-49(52)60/h20-21,27-30,35-42,46-48,53-55,58-59H,4-19,22-26,31-34H2,1-3H3,(H,61,62)(H,63,64)(H2,50,51,60)/b21-20-,28-27+/t36-,37-,38+,39-,40-,41+,42-,46+,47-,48-/m1/s1
InChIKeyAWYAOGGJYIJHKY-DIWPDBDLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
CDP-DG(5-iso PGF2VI/i-19:0) (CHEBI:230054) is a organic diphosphate (CHEBI:62889)
IUPAC Name 
[(1R,9R,14Z,17R,18S,20R,21S,22S,23S,25R)-25-(4-amino-2-oxopyrimidin-1-yl)-4,6,18,20,22,23-hexahydroxy-21-[(E,3R)-3-hydroxyoct-1-enyl]-4,6,12-trioxo-3,5,7,11,24-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[15.6.2]pentacos-14-en-9-yl] 17-methyloctadecanoate