skip to main content

Chemistry, part 1

Content language

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

Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > (3s)-hydroxyhexadecanedioyl-coa(5-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > (3s)-hydroxyhexadecanedioyl-coa(5-)
... > 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 > (3s)-hydroxyhexadecanedioyl-coa(5-)
... > 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 > (3s)-hydroxyhexadecanedioyl-coa(5-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > acyl-coa oxoanion > (3s)-hydroxyhexadecanedioyl-coa(5-)

Preferred term

(3s)-hydroxyhexadecanedioyl-coa(5-)  

Type

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

Broader concept

charge

  • -5

formula

  • C37H59N7O20P3S

inchi

  • InChI=1S/C37H64N7O20P3S/c1-37(2,32(51)35(52)40-16-15-26(46)39-17-18-68-28(49)19-24(45)13-11-9-7-5-3-4-6-8-10-12-14-27(47)48)21-61-67(58,59)64-66(56,57)60-20-25-31(63-65(53,54)55)30(50)36(62-25)44-23-43-29-33(38)41-22-42-34(29)44/h22-25,30-32,36,45,50-51H,3-21H2,1-2H3,(H,39,46)(H,40,52)(H,47,48)(H,56,57)(H,58,59)(H2,38,41,42)(H2,53,54,55)/p-5/t24-,25+,30+,31+,32-,36+/m0/s1

inchikey

  • QNUDSTASHBDCFR-SVVIZOHVSA-I

is_conjugate_base_of

mass

  • 1046.88800

monoisotopicmass

  • 1046.27759

smiles

  • CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)CCCCCCCCCCCCC([O-])=O

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-15-carboxy-3-hydroxypentadecananoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

synonym RELATED

  • 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-15-carboxy-3-hydroxypentadecananoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • (3S)-hydroxyhexadecanedioyl-CoA
  • (3S)-hydroxyhexadecanedioyl-coenzyme A(5-)
  • (3S)-OH-C16:0-DCA-CoA(5-)
  • S-3-hydroxyhexadecanedioyl-CoA(5-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:77080

Download this concept:

RDF/XML TURTLE JSON-LD