CHEBI:29680 - Sulfamycin B

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ChEBI Name Sulfamycin B
ChEBI ID CHEBI:29680
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C54H52N16O16S2
Net Charge 0
Average Mass 1245.223
Monoisotopic Mass 1244.31886
InChI InChI=1S/C54H52N16O16S2/c1-12-29-50-68-36(26(9)85-50)47(81)59-23(6)42(76)60-24(7)49-64-32(16-84-49)38-28(13-14-30(61-38)43(77)58-22(5)41(75)57-21(4)40(74)56-20(3)39(55)73)53-65-34(17-87-53)45(79)67-35(25(8)72)46(80)63-31(15-19(2)71)51-69-37(27(10)86-51)48(82)70-52(83-11)54-66-33(18-88-54)44(78)62-29/h12-19,25,35,52,71-72H,3-7H2,1-2,8-11H3,(H2,55,73)(H,56,74)(H,57,75)(H,58,77)(H,59,81)(H,60,76)(H,62,78)(H,63,80)(H,67,79)(H,70,82)/b29-12-,31-15-/t19?,25-,35+,52-/m1/s1
InChIKey HLGFNEKJPGHMHW-WQQXHNPUSA-N
SMILES CO[C@H]1NC(=O)c2nc(oc2C)\C(NC(=O)[C@@H](NC(=O)c2csc(n2)-c2ccc(nc2-c2coc(n2)C(=C)NC(=O)C(=C)NC(=O)c2nc(oc2C)\C(NC(=O)c2csc1n2)=C\C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O)=C\C(C)O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Sulfamycin B (CHEBI:29680) is a peptide (CHEBI:16670)
Synonym Source
Sulfamycin B KEGG COMPOUND
Manual Xref Database
C12055 KEGG COMPOUND
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Last Modified
28 July 2014