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fluoroacetyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM5161

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₃H₃₃FN₇O₁₇P₃S

charge

-4

mass

823.08725

reference

chebi:61623

InChIKey

MXORLDKQFQCTLP-GRFIIANRSA-J

InChI

InChI=1S/C23H37FN7O17P3S/c1-23(2,18(35)21(36)27-4-3-13(32)26-5-6-52-14(33)7-24)9-45-51(42,43)48-50(40,41)44-8-12-17(47-49(37,38)39)16(34)22(46-12)31-11-30-15-19(25)28-10-29-20(15)31/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/p-4/t12-,16-,17-,18+,22-/m1/s1

SMILES

CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CF

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61623 chebi:61623	fluoroacetyl-CoA fluoroacetyl-CoA(4-)
sabiork.compound:23480 sabiorkM:23480	Fluoroacetyl-CoA
kegg.compound:C19775 keggC:C19775	Fluoroacetyl-CoA Fluoroacetyl-coenzyme A
seed.compound:cpd21020 seedM:cpd21020	Fluoroacetyl-CoA Fluoroacetyl-coenzyme A fluoroacetyl coenzyme-A fluoroacetyl-CoA
CHEBI:61646 chebi:61646	fluoroacetyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(fluoroacetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) S-fluoroacetyl-coenzyme A fluoroacetyl-coenzyme A
metacyc.compound:CPD-12716 metacycM:CPD-12716	fluoroacetyl-CoA fluoroacetyl coenzyme-A
keggC:M_C19775 seedM:M_cpd21020	secondary/obsolete/fantasy identifier