Terminology Service for NFDI4Health
2-furoyl-CoA(4-)
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http://purl.obolibrary.org/obo/CHEBI_57333
An acyl-CoA(4-) that is the tetraanion of 2-furoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Term info
Label
2-furoyl-CoA(4-)
Synonyms
- 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(furan-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Subsets
3_STAR
IUPAC NAME
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(furan-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
[
IUPAC
]
charge
-4
formula
C26H34N7O18P3S
has obo namespace
chebi_ontology
has related synonym
2-furoyl-CoA, 2-furoyl-coenzyme A(4-), 2-furoyl-coenzyme A tetraanion, 2-furylformyl-CoA(4-)
id
CHEBI:57333
inchi
InChI=1S/C26H38N7O18P3S/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)14-4-3-8-46-14)11-48-54(44,45)51-53(42,43)47-10-15-19(50-52(39,40)41)18(35)24(49-15)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-13,15,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,18-,19-,20+,24-/m1/s1
inchikey
IIKOXWXMCPEVLL-DJVIHCHSSA-J
mass
857.57100
monoisotopicmass
857.09158
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)c1ccco1
Term relations
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