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CHEBI:29632 - Mureidomycin A

ChEBI IDCHEBI:29632
ChEBI NameMureidomycin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC38H48N8O12S
Net Charge0
Average Mass840.913
Monoisotopic Mass840.31124
SMILESCSCCC(NC(=O)NC(Cc1cccc(O)c1)C(=O)O)C(=O)NC(C(=O)N/C=C1/C[C@@H](O)[C@H](n2ccc(=O)nc2=O)O1)C(C)N(C)C(=O)C(N)Cc1cccc(O)c1
InChIInChI=1S/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-21-6-4-8-23(47)14-21)31(33(52)40-19-25-18-29(49)35(58-25)46-12-10-30(50)43-38(46)57)44-32(51)27(11-13-59-3)41-37(56)42-28(36(54)55)17-22-7-5-9-24(48)15-22/h4-10,12,14-15,19-20,26-29,31,35,47-49H,11,13,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/b25-19-/t20?,26?,27?,28?,29-,31?,35-/m1/s1
InChIKeyLLINEOOFHRQODR-QQCWUGGYSA-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)
Mureidomycin A (CHEBI:29632) is a peptide (CHEBI:16670)
Synonyms  Source
Mureidomycin AKEGG COMPOUND
MRD AKEGG COMPOUND
Manual XrefsDatabases
C12007KEGG COMPOUND
Registry NumbersSources
CAS:114797-04-5KEGG COMPOUND