COA – coenzyme A
Name | ||
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WID | COA |
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Name | coenzyme A |
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Traditional name | [3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propyl] ({[5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate | |
IUPAC name | [3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propyl] ({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate | |
Cross references | ChEBI: 15346, PubChem: 3312, CAS: 85-61-0, ThreeDMET: B04618, KNApSAcK: C00007258, | |
Classification | ||
Type | vitamin |
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Structure | ||
Empirical formula (pH 7.5) | H32C21N7O16P3S1 | |
SMILES (pH 7.5) | CC(C)(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS | |
Charge (pH 7.5) | -4 | |
Is hydrophobic | False |
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Molecular weight (Da) | 763.50 |
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van der Waals volume (pH 7.5; Å3 molecule‑1) |
584.08 | |
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) | -1701.30 | |
pI | 2.12 | |
logP | -7.00 | |
logD (pH 7.5) | -11.81 | |
Concentrations | ||
Biomass composition (SP4 media, 5% CO2, 37C; mmol gDCW‑1) |
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Media composition (SP4; mM) | 0.0016372 (diffused) |
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Function | ||
Complex subunit |
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Reaction participant |
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Comments | ||
Comments | Incubator provides 5% CO2 = 38 mmHg. Equilbrium constant of solvation is 29.41 L*atm/mol [PUB_0171]. | |
References |
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Metadata | ||
Created | 2012-10-01 15:06:52 | |
Last updated | 2012-10-01 15:11:58 |