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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > organic phosphate > organic diphosphate > cdp-dg(a-21:0/pge2)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organic phosphate > organic diphosphate > cdp-dg(a-21:0/pge2)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > phosphate > organic phosphate > organic diphosphate > cdp-dg(a-21:0/pge2)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > phosphate > organic phosphate > organic diphosphate > cdp-dg(a-21:0/pge2)

Preferred term

cdp-dg(a-21:0/pge2)  

Type

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

Broader concept

charge

  • 0

formula

  • C53H91N3O18P2

inchi

  • InChI=1S/C53H91N3O18P2/c1-4-6-21-27-40(57)31-32-42-44(58)35-45(59)43-28-23-19-20-25-30-49(61)72-41(36-69-48(60)29-24-18-16-14-12-10-8-7-9-11-13-15-17-22-26-39(3)5-2)37-70-75(65,66)74-76(67,68)71-38-46(51(63)50(42)62)73-52(43)56-34-33-47(54)55-53(56)64/h19,23,31-34,39-44,46,50-52,57-58,62-63H,4-18,20-22,24-30,35-38H2,1-3H3,(H,65,66)(H,67,68)(H2,54,55,64)/t39?,40-,41+,42-,43-,44+,46+,50-,51+,52+/m0/s1

inchikey

  • DKFJXVXKBXOHTN-XQKSKXAXSA-N

mass

  • 1120.262

monoisotopicmass

  • 1119.57729

smiles

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

subset

  • 2_STAR

synonym EXACT

  • [(1R,9R,18R,21R,22S,23S,24S,26R)-26-(4-amino-2-oxopyrimidin-1-yl)-4,6,21,23,24-pentahydroxy-22-[(3S)-3-hydroxyoct-1-enyl]-4,6,11,19-tetraoxo-3,5,7,10,25-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[16.6.2]hexacos-15-en-9-yl]methyl 18-methylicosanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230911

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