Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0DV6F
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| Ligand Name |
Carboxymethyl-coenzyme A
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| Synonyms |
Carboxymethyl-coenzyme A; Carboxymethyl-coa; 79955-48-9; CARBOXYMETHYL COENZYME *A; Coenzyme A, carboxymethyl-; Coenzyme A, S-(carboxymethyl)-; s-(carboxymethyl)-coenzyme A; S-(carboxymethyl)-CoA; SCHEMBL1370748; CHEBI:136808; DTXSID401000859; Carboxymethyl-CoA; (Acyl-CoA); [M+H]+;; Q27458857; 9-{5-O-[{[(4-{[3-({2-[(Carboxymethyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
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| Structure |
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Download2D MOL
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| Formula |
C23H38N7O18P3S
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| Canonical SMILES |
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)O)O
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| InChI |
1S/C23H38N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H,25,31)(H,26,36)(H,32,33)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1
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| InChIKey |
OBUOSIHPWVNVJN-GRFIIANRSA-N
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| PubChem Compound ID | ||||
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