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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name CDP-DG(i-14:0/PGF1alpha)
ChEBI ID CHEBI:230753
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H81N3O18P2
Net Charge 0
Average Mass 1026.105
Monoisotopic Mass 1025.49904
InChI InChI=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
InChIKey CUEACLWBSKKTNO-UIWMKDIRSA-N
SMILES P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@H](O)[C@@H]2O)/C=C\[C@@H](O)CCCCC)CCCCCCC(O[C@@H](COP(O1)(O)=O)COC(=O)CCCCCCCCCCC(C)C)=O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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