malonamoyl-CoA

Chemical Formula:

C₂₄H₃₅N₈O₁₈P₃S

Molecular Weight:

848.565 Daltons

Monoisotopic Mass:

852.1315867113 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)N)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/C24H39N8O18P3S/c1-24(2,19(37)22(38)28-4-3-14(34)27-5-6-54-15(35)7-13(25)33)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)32-11-31-16-20(26)29-10-30-21(16)32/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H2,25,33)(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t12-,17-,18-,19+,23-/m1/s1

InChIKey:

KRWKKOAUSKOTIG-DVVLENMVSA-J

Synonyms

3-amino-3-oxopropanoyl-CoA

Databases

MetaCyc: CPD-17870

RefMet: Malonamoyl-CoA

PubChem (CID): 91820130 11966156

KEGG: C06625

ChemSpider: 10140150

ChEBI: 28334

Seed: cpd04029

MetaNetX: MNXM6324