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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

CDP DG (PGJ2/16:0)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C48H79N3O17P2

inchi

  • InChI=1S/C48H79N3O17P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-26-44(55)66-38-33-63-43(54)25-21-18-17-20-23-36-27-30-40(53)39(29-28-37(52)24-19-6-4-2)45(56)46(57)41(35-65-70(61,62)68-69(59,60)64-34-38)67-47(36)51-32-31-42(49)50-48(51)58/h17,20,27-32,36-39,41,45-47,52,56-57H,3-16,18-19,21-26,33-35H2,1-2H3,(H,59,60)(H,61,62)(H2,49,50,58)/b20-17-,29-28?,30-27-/t36-,37-,38+,39-,41+,45-,46+,47+/m0/s1

inchikey

  • PHXGDSYIUURYSU-FRPNTDNMSA-N

mass

  • 1032.112

monoisotopicmass

  • 1031.48847

smiles

  • P1(OC[C@H]2O[C@@H](N3C=CC(=NC3=O)N)[C@@H](CC=CCCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(O1)(O)=O)=O)C=CC(=O)[C@@H]([C@H](O)[C@@H]2O)C=C[C@@H](O)CCCCC)(O)=O

subset

  • 2_STAR

synonym EXACT

  • [(1R,9R,16Z,19S,20Z,23R,24S,25S,27R)-27-(4-amino-2-oxopyrimidin-1-yl)-4,6,24,25-tetrahydroxy-23-[(3S)-3-hydroxyoct-1-enyl]-4,6,12,22-tetraoxo-3,5,7,11,26-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[17.6.2]heptacosa-16,20-dien-9-yl] hexadecanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230039

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