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5-hydroxy-2-furoyl-CoA

Go to external page http://purl.obolibrary.org/obo/CHEBI_15510

The S-(5-hydroxy-2-furoyl) derivative of coenzyme A.

Term info

Label

5-hydroxy-2-furoyl-CoA

Synonyms
  • 3'-phosphoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(5-hydroxyfuran-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
database cross reference
Subsets

3_STAR

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

charge

0

formula

C26H38N7O19P3S

has alternative id

CHEBI:8935, CHEBI:22017, CHEBI:12736

has obo namespace

chebi_ontology

has related synonym

S-(5-Hydroxy-2-furoyl)-CoA, S-(5-hydroxy-2-furoyl)-CoA

id

CHEBI:15510

inchi

InChI=1S/C26H38N7O19P3S/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-56-25(39)13-3-4-16(35)49-13)10-48-55(45,46)52-54(43,44)47-9-14-19(51-53(40,41)42)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-12,14,18-20,24,35-37H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20+,24-/m1/s1

inchikey

IDJHMFITFRNMIE-CITAKDKDSA-N

mass

877.60298

monoisotopicmass

877.11560

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)c1ccc(O)o1