acetyl-CoA

Description

Acetyl-CoA is a central metabolic intermediate in Escherichia coli, primarily derived from pyruvate, and serves as the direct precursor of malonyl-CoA [349, 359]. Its intracellular pool can be increased through metabolic engineering strategies such as deletion of poxB, adhE, or ackA, in combination with overexpression of acs, thereby reducing carbon loss and promoting acetyl-CoA accumulation [349, 359]. In contrast, overexpression of acetyl-CoA carboxylase reduces acetyl-CoA availability by accelerating its conversion to malonyl-CoA [359].

Chemical Formula:

C₂₃H₃₄N₇O₁₇P₃S

Molecular Weight:

805.54 Daltons

Monoisotopic Mass:

809.1257730519 Daltons

SMILES:

CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/p-4/t13-,16-,17-,18+,22-/m1/s1

InChIKey:

ZSLZBFCDCINBPY-ZSJPKINUSA-J

Synonyms

acetyl coenzyme-A
ac-CoA
acetylcoenzyme-A
acetyl-S-CoA
ac-S-CoA
Acetyl coenzyme A

Databases

MetaCyc: ACETYL-COA

BiGG: accoa

RefMet: Acetyl-CoA

MetaboLights: MTBLC57288

HMDB: HMDB01206

ChEBI: 57288 15351

PubChem (CID): 45266541 444493

KNApSAcK: C00007259

CAS: 72-89-9

UMBBD-Compounds: c0031

KEGG: C00024

PDB-CCD: ACO

NIKKAJI: J192.549K

PupChem (SID): 3326

LIPID MAPS: LMFA07050281

Seed: cpd00022

MetaNetX: MNXM21