Term: | CDP-DG(PGF1alpha/20:3(5Z,8Z,11Z)) |
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Accession: | CHEBI:230090
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Synonyms: | exact_synonym: | [(1R,9R,19S,20S,22R,23S,24S,25S,27R)-27-(4-amino-2-oxopyrimidin-1-yl)-4,6,20,22,24,25-hexahydroxy-23-[(E,3S)-3-hydroxyoct-1-enyl]-4,6,12-trioxo-3,5,7,11,26-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[17.6.2]heptacosan-9-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate |
| related_synonym: | Formula=C52H87N3O18P2; InChI=1S/C52H87N3O18P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-30-48(60)71-40-36-68-47(59)29-25-22-21-24-28-42-44(58)35-43(57)41(32-31-39(56)27-23-6-4-2)49(61)50(62)45(38-70-75(66,67)73-74(64,65)69-37-40)72-51(42)55-34-33-46(53)54-52(55)63/h12-13,15-16,18-19,31-34,39-45,49-51,56-58,61-62H,3-11,14,17,20-30,35-38H2,1-2H3,(H,64,65)(H,66,67)(H2,53,54,63)/b13-12-,16-15-,19-18-,32-31+/t39-,40+,41-,42-,43+,44-,45+,49-,50+,51+/m0/s1; InChIKey=WCMPEFGQYBYNBV-ROIGZYJTSA-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(OC[C@@H](OC(=O)CCC/C=C\\C/C=C\\C/C=C\\CCCCCCCC)COP(O1)(O)=O)=O)(O)=O |
| xref: | Chemspider:117211287; HMDB:HMDB0292004 |
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