UCSF

ZINC85552088

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2013 51 No

Popular Name: Acetyl-CoA Acetyl-CoA

Find On: PubMed — Wikipedia — Google

CAS Number: 72-89-9

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.10 -0.78 -342.21 6 24 -4 375 805.546 20 ↓
Mid Mid (pH 6-8) -4.10 -1.93 -218.76 7 24 -3 372 806.554 20 ↓
Mid Mid (pH 6-8) -3.73 -6.25 -209.85 7 24 -3 379 806.554 20 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 1433Z_BOVIN; 1433Z_HUMAN; 1433Z_MOUSE; 1433Z_PONAB; 1433Z_RAT; 1433Z_SHEEP; 2PS_GERHY; 4HBT_PSEUC; 5MAT1_SALSN; 5MAT2_SALSN; 5MAT_ARATH; AAC2_PROST; AAC31_SALSP; AAC32_SALSP; AAC3_SERMA; AAC6C_SERMA; AAC6_ACIBA; AAC6_ACIG1; AAC6_ACIHA; AAC6_CITKO; AAC6_EN ChEBI
Patent Database Links EP1728510; EP1884513; EP1911753; EP1947189; US2003190734; US2005009870; US2005014786; US2005080087; US2006079542; US2007254354; US2008214666; US2008274947; US2008293125; WO2005007628; WO2005016286; WO2005037199; WO2005063761; WO2005063762; WO2006020959; W ChEBI
Reactome Database Links REACT_1099; REACT_11201; REACT_1141; REACT_121010; REACT_121028; REACT_121194; REACT_1282; REACT_1478; REACT_14811; REACT_14817; REACT_1497; REACT_150144; REACT_150215; REACT_150294; REACT_150456; REACT_1519; REACT_15290; REACT_15484; REACT_163880; REACT_ ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Acetylation
Acetylcholine Neurotransmitter Release Cycle
Aflatoxin activation and detoxification
alpha-linolenic acid (ALA) metabolism
Attenuation phase
Beta oxidation of decanoyl-CoA to octanoyl-CoA-CoA
Beta oxidation of hexanoyl-CoA to butanoyl-CoA
Beta oxidation of lauroyl-CoA to decanoyl-CoA-CoA
Beta oxidation of myristoyl-CoA to lauroyl-CoA
Beta oxidation of octanoyl-CoA to hexanoyl-CoA
Beta oxidation of palmitoyl-CoA to myristoyl-CoA
Beta-oxidation of pristanoyl-CoA
Beta-oxidation of very long chain fatty acids
Branched-chain amino acid catabolism
Cholesterol biosynthesis
Citric acid cycle (TCA cycle)
Cysteine synthesis from O-acetylserine
Establishment of Sister Chromatid Cohesion
Ethanol oxidation
Fatty Acyl-CoA Biosynthesis
formation of the beta-catenin:TCF transactivating complex
Gluconeogenesis
Glycolysis
HATs acetylate histones
HS-GAG degradation
Import of palmitoyl-CoA into the mitochondrial matrix
Interconversion of polyamines
mitochondrial fatty acid beta-oxidation of unsaturated fatty acids
MPS IIIC - Sanfilippo syndrome C
Mycothiol biosynthesis
Peroxisomal lipid metabolism
Pyruvate metabolism
Regulation of pyruvate dehydrogenase (PDH) complex
Resolution of Sister Chromatid Cohesion
RNA Polymerase I Transcription Initiation
Separation of Sister Chromatids
Serotonin and melatonin biosynthesis
Synthesis of Ketone Bodies
Synthesis of PC
Synthesis of UDP-N-acetyl-glucosamine
The tricarboxylic acid cycle
Transport of vitamins, nucleosides, and related molecules
Urea cycle
Utilization of Ketone Bodies

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.