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CHEBI:29627 - Megalomicin C2

ChEBI IDCHEBI:29627
ChEBI NameMegalomicin C2
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC49H86N2O17
Net Charge0
Average Mass975.224
Monoisotopic Mass974.59265
SMILESCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O[C@H]3C[C@@H](N(C)C)[C@@H](O)[C@H](C)O3)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC(C)=O
InChIInChI=1S/C49H86N2O17/c1-18-34-49(13,59)42(57)26(5)38(54)24(3)22-47(11,68-36-21-33(51(16)17)39(55)29(8)61-36)43(66-46-40(56)32(50(14)15)20-25(4)60-46)27(6)41(28(7)45(58)63-34)65-37-23-48(12,67-31(10)52)44(30(9)62-37)64-35(53)19-2/h24-30,32-34,36-37,39-44,46,55-57,59H,18-23H2,1-17H3/t24-,25-,26+,27+,28-,29+,30+,32+,33-,34-,36+,37+,39+,40-,41+,42-,43-,44+,46+,47-,48-,49-/m1/s1
InChIKeyUAXBWJGWBJFVPK-ADJRBOKUSA-N
ChEBI Ontology
Outgoing Relation(s)
Megalomicin C2 (CHEBI:29627) is a macrolide (CHEBI:25106)
Synonym  Source
Megalomicin C2KEGG COMPOUND
Manual XrefsDatabases
C11988KEGG COMPOUND
Registry NumbersSources
CAS:49669-77-4KEGG COMPOUND