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CHEBI:29631 - Micrococcin

ChEBI IDCHEBI:29631
ChEBI NameMicrococcin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC48H49N13O9S6
Net Charge0
Average Mass1144.404
Monoisotopic Mass1143.21005
SMILESC/C=C(\NC(=O)c1csc(-c2csc(-c3ccc4c(n3)-c3csc(n3)[C@H]([C@@H](C)O)NC(=O)c3csc(n3)[C@@H](C(C)C)NC(=O)c3csc(n3)/C(=C/C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3csc-4n3)n2)n1)C(=O)NC[C@H](C)O
InChIInChI=1S/C48H49N13O9S6/c1-8-24(37(65)49-12-20(5)62)51-38(66)28-15-73-46(56-28)32-18-74-45(58-32)26-11-10-23-36(50-26)27-13-75-48(53-27)35(22(7)64)61-41(69)31-17-76-47(57-31)33(19(3)4)59-39(67)30-16-72-44(55-30)25(9-2)52-42(70)34(21(6)63)60-40(68)29-14-71-43(23)54-29/h8-11,13-22,33-35,62-64H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b24-8-,25-9-/t20-,21+,22+,33+,34-,35-/m0/s1
InChIKeyMQGFYNRGFWXAKA-GXSYYHJRSA-N
ChEBI Ontology
Outgoing Relation(s)
Micrococcin (CHEBI:29631) is a azamacrocycle (CHEBI:52898)
Micrococcin (CHEBI:29631) is a lactam (CHEBI:24995)
Synonyms  Source
MicrococcinKEGG COMPOUND
Micrococcin P1KEGG COMPOUND
BRN1070340KEGG COMPOUND
Manual XrefsDatabases
C12051KEGG COMPOUND
Registry NumbersSources
CAS:67401-56-3KEGG COMPOUND