malonyl-CoA

Chemical Formula:

C₂₄H₃₃N₇O₁₉P₃S

Molecular Weight:

848.541 Daltons

Monoisotopic Mass:

853.1156022961001 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=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/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/p-5/t12-,17-,18-,19+,23-/m1/s1

InChIKey:

LTYOQGRJFJAKNA-DVVLENMVSA-I

Synonyms

malonyl coenzyme A

Databases

MetaCyc: MALONYL-COA

RefMet: Malonyl-CoA

BiGG: malcoa

PubChem (CID): 45266608 644066

MetaboLights: MTBLC57384

HMDB: HMDB01175

ChEBI: 57384 15531

KEGG: C00083

CAS: 524-14-1

PupChem (SID): 3383

CHEMBL: CHEMBL1234355

LIPID MAPS: LMFA07050345

PDB-CCD: MLC

NIKKAJI: J203.864A

MetaNetX: MNXM40

KNApSAcK: C00007260