CHEBI:29627 - Megalomicin C2

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ChEBI Name Megalomicin C2
ChEBI ID CHEBI:29627
Stars This entity has been manually annotated by a third party.
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Formula C49H86N2O17
Net Charge 0
Average Mass 975.212
Monoisotopic Mass 974.59265
InChI InChI=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
InChIKey UAXBWJGWBJFVPK-ADJRBOKUSA-N
SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC(C)=O)[C@@H](OC(=O)CC)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)O[C@H]1C[C@H]([C@@H](O)[C@H](C)O1)N(C)C
ChEBI Ontology
Outgoing Megalomicin C2 (CHEBI:29627) is a macrolide (CHEBI:25106)
Synonym Source
Megalomicin C2 KEGG COMPOUND
Manual Xref Database
C11988 KEGG COMPOUND
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Registry Number Type Source
49669-77-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014