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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > multi-methyl-branched fatty acyl-coa(4-) > (2s)-pristanoyl-coa(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > multi-methyl-branched fatty acyl-coa(4-) > (2s)-pristanoyl-coa(4-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > multi-methyl-branched fatty acyl-coa(4-) > (2s)-pristanoyl-coa(4-)
... > 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 > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > multi-methyl-branched fatty acyl-coa(4-) > (2s)-pristanoyl-coa(4-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > multi-methyl-branched fatty acyl-coa(4-) > (2s)-pristanoyl-coa(4-)

Preferred term

(2s)-pristanoyl-coa(4-)  

Type

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

Broader concept

charge

  • -4

formula

  • C40H68N7O17P3S

inchi

  • InChI=1S/C40H72N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h23-29,32-34,38,49-50H,8-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t26?,27?,28-,29+,32+,33+,34-,38+/m0/s1

inchikey

  • XYJPSQPVCBNZHT-DHBXAFLLSA-J

is_conjugate_base_of

mass

  • 1043.99300

monoisotopicmass

  • 1043.36272

smiles

  • CC(C)CCCC(C)CCCC(C)CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2S)-2,6,10,14-tetramethylpentadecanoylsulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}

synonym RELATED

  • (2S)-pristanoyl-CoA

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:77099

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