Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B38AIV
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| Binder Name |
Surfactin
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| Synonyms |
surfactin C; Leu7-Surfactin; CHEMBL508272; SCHEMBL1434743; DTXSID20893274; BDBM50378583; C12043; Q3132229; Surfactin, from Bacillus subtilis, >=98.0% (HPLC)
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C53H93N7O13
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| Canonical SMILES |
CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O
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| InChI |
1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1
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| InChIKey |
NJGWOFRZMQRKHT-WGVNQGGSSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:71978
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