Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1S0IV
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| Ligand Name |
(3S)-citryl-Coenzyme A
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| Synonyms |
(3S)-citryl-Coenzyme A; (3S)-Citryl-CoA; Q5B; CHEBI:15459
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| Structure |
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Download2D MOL
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| Formula |
C27H42N7O22P3S
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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)NCCSC(=O)CC(CC(=O)O)(C(=O)O)O)O
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| InChI |
1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/t13-,18-,19-,20+,24-,27+/m1/s1
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| InChIKey |
IHVFHZGGMJDGGZ-VPXVXCNZSA-N
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| PubChem Compound ID | ||||
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