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3-oxoicosanoyl-CoA

Go to external page http://purl.obolibrary.org/obo/CHEBI_52327

A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxoicosanoic acid.

Term info

Label

3-oxoicosanoyl-CoA

Synonyms
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxoicosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
Subsets

3_STAR

IUPAC NAME
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxoicosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate} [ IUPAC ]

charge

0

formula

C41H72N7O18P3S

has obo namespace

chebi_ontology

has related synonym

3-ketoicosanoyl-CoA, 3-oxoicosanoyl-coenzyme A, 3-oxoeicosanoyl-coenzyme A, 3-oxoeicosanoyl-CoA, 3-keto-C20-CoA, 3-ketoeicosanoyl-coenzyme A, 3-ketoeicosanoyl-CoA, 3-ketoicosanoyl-coenzyme A

id

CHEBI:52327

inchi

InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-28,30,34-36,40,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t30-,34-,35-,36+,40-/m1/s1

inchikey

FYBVHNZJDVUVLJ-IBYUJNRCSA-N

mass

1076.03300

monoisotopicmass

1075.38674

smiles

CCCCCCCCCCCCCCCCCC(=O)CC(=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