UCSF

ZINC87493113

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 48 No

Popular Name: CoA CoA

Find On: PubMed — Wikipedia — Google

CAS Number: 85-61-0

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) -4.44 -0.35 -349.09 6 23 -4 358 763.509 18 ↓
Hi High (pH 8-9.5) -4.44 0.19 -422.91 6 23 -5 358 762.501 18 ↓
Mid Mid (pH 6-8) -4.44 -1.49 -226.48 7 23 -3 355 764.517 18 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 12S_PROFR; 1433Z_BOVIN; 1433Z_HUMAN; 1433Z_MOUSE; 1433Z_PONAB; 1433Z_RAT; 1433Z_SHEEP; 2PS_GERHY; 3AT1_ARATH; 3AT2_ARATH; 3AT_PERFR; 3HBCL_THAAR; 3MAT_DAHPI; 4CL1_ARATH; 4CL1_DICDI; 4CL1_ORYSJ; 4CL1_PETCR; 4CL1_SOLTU; 4CL1_SOYBN; 4CL1_TOBAC; 4CL2_ARATH; 4 ChEBI
Reactome Database Links REACT_10000; REACT_10020; REACT_10034; REACT_10049; REACT_10061; REACT_10064; REACT_10087; REACT_10103; REACT_10106; REACT_10113; REACT_10119; REACT_1049; REACT_1077; REACT_1099; REACT_11093; REACT_11133; REACT_11137; REACT_11175; REACT_11185; REACT_11209 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Acetylation
Acetylcholine Neurotransmitter Release Cycle
Acyl chain remodeling of CL
Acyl chain remodeling of DAG and TAG
Acyl chain remodelling of PC
Acyl chain remodelling of PE
Acyl chain remodelling of PG
Acyl chain remodelling of PI
Acyl chain remodelling of PS
Aflatoxin activation and detoxification
alpha-linolenic acid (ALA) metabolism
Alpha-oxidation of phytanate
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)
Coenzyme A biosynthesis
Conjugation of benzoate with glycine
Conjugation of phenylacetate with glutamine
Conjugation of salicylate with glycine
Cysteine synthesis from O-acetylserine
Establishment of Sister Chromatid Cohesion
Ethanol oxidation
Fatty Acyl-CoA Biosynthesis
formation of the beta-catenin:TCF transactivating complex
HATs acetylate histones
Hedgehog ligand biogenesis
Heme biosynthesis
Heme synthesis
HS-GAG degradation
Import of palmitoyl-CoA into the mitochondrial matrix
Inactivation, recovery and regulation of the phototransduction cascade
Interconversion of polyamines
Late Phase of HIV Life Cycle
Linoleic acid (LA) metabolism
Lysine catabolism
Membrane binding and targetting of GAG proteins
mitochondrial fatty acid beta-oxidation of unsaturated fatty acids
Mycothiol biosynthesis
Plasmalogen biosynthesis
Pyruvate metabolism
Recycling of bile acids and salts
Resolution of Sister Chromatid Cohesion
RNA Polymerase I Transcription Initiation
Separation of Sister Chromatids
Serotonin and melatonin biosynthesis
Sphingolipid de novo biosynthesis
Sphingolipid metabolism
Synthesis of bile acids and bile salts via 24-hydroxycholesterol
Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol
Synthesis of glycosylphosphatidylinositol (GPI)
Synthesis of Ketone Bodies
Synthesis of PA
Synthesis of PC
Synthesis of UDP-N-acetyl-glucosamine
Synthesis of very long-chain fatty acyl-CoAs
The retinoid cycle in cones (daylight vision)
The tricarboxylic acid cycle
Triglyceride Biosynthesis
Urea cycle
Utilization of Ketone Bodies
Vitamin B5 (pantothenate) metabolism
WNT ligand biogenesis and trafficking

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

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