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CHEBI:29680 - Sulfamycin B

ChEBI IDCHEBI:29680
ChEBI NameSulfamycin B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC54H52N16O16S2
Net Charge0
Average Mass1245.240
Monoisotopic Mass1244.31886
SMILESC=C(NC(=O)C(=C)NC(=O)C(=C)NC(=O)c1ccc2c(n1)-c1coc(n1)C(=C)NC(=O)C(=C)NC(=O)c1nc(oc1C)/C(=C/C)NC(=O)c1csc(n1)[C@@H](OC)NC(=O)c1nc(oc1C)/C(=C/C(C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)c1csc-2n1)C(N)=O
InChIInChI=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
InChIKeyHLGFNEKJPGHMHW-WQQXHNPUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Sulfamycin B (CHEBI:29680) is a peptide (CHEBI:16670)
Synonym  Source
Sulfamycin BKEGG COMPOUND
Manual XrefsDatabases
C12055KEGG COMPOUND