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CHEBI:29626 - Megalomicin C1

ChEBI IDCHEBI:29626
ChEBI NameMegalomicin C1
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC48H84N2O17
Net Charge0
Average Mass961.197
Monoisotopic Mass960.57700
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC(C)=O)[C@@H](OC(C)=O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O[C@H]2C[C@@H](N(C)C)[C@@H](O)[C@H](C)O2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C48H84N2O17/c1-18-34-48(13,58)41(56)25(4)37(53)23(2)21-46(11,67-35-20-33(50(16)17)38(54)28(7)60-35)42(65-45-39(55)32(49(14)15)19-24(3)59-45)26(5)40(27(6)44(57)63-34)64-36-22-47(12,66-31(10)52)43(29(8)61-36)62-30(9)51/h23-29,32-36,38-43,45,54-56,58H,18-22H2,1-17H3/t23-,24-,25+,26+,27-,28+,29+,32+,33-,34-,35+,36+,38+,39-,40+,41-,42-,43+,45+,46-,47-,48-/m1/s1
InChIKeyNGOSGEYHKQYUTN-XIBKBKGSSA-N
ChEBI Ontology
Outgoing Relation(s)
Megalomicin C1 (CHEBI:29626) is a macrolide (CHEBI:25106)
Synonym  Source
Megalomicin C1KEGG COMPOUND
Manual XrefsDatabases
C11987KEGG COMPOUND
Registry NumbersSources
CAS:49669-76-3KEGG COMPOUND