sulfoacetyl-CoA

Chemical Formula:

C₂₃H₃₃N₇O₂₀P₃S₂

Molecular Weight:

884.59 Daltons

Monoisotopic Mass:

889.0825876082 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CS(=O)(=O)[O-])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/C23H38N7O20P3S2/c1-23(2,18(34)21(35)26-4-3-13(31)25-5-6-54-14(32)8-55(43,44)45)9-47-53(41,42)50-52(39,40)46-7-12-17(49-51(36,37)38)16(33)22(48-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,33-34H,3-9H2,1-2H3,(H,25,31)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)(H,43,44,45)/p-5/t12-,16-,17-,18+,22-/m1/s1

InChIKey:

LFBBBBRKKCUFRH-GRFIIANRSA-I

Synonyms

sulfoacetyl-coenzyme-A

Databases

MetaCyc: CPD-12645

ChEBI: 61994

PubChem (CID): 49859642

Seed: cpd20933

MetaNetX: MNXM4833

KEGG: C19685