fluoroacetyl-CoA

Chemical Formula:

C₂₃H₃₃N₇O₁₇FP₃S

Molecular Weight:

823.53 Daltons

Monoisotopic Mass:

827.1163512198 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CF)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

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

InChIKey:

MXORLDKQFQCTLP-GRFIIANRSA-J

Synonyms

fluoroacetyl coenzyme-A

Databases

MetaCyc: CPD-12716

KEGG: C19775

ChEBI: 61623

PubChem (CID): 49859652

Seed: cpd21020

MetaNetX: MNXM5161