CHEBI:31908 - Niddamycin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Niddamycin
ChEBI ID CHEBI:31908
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C39H63NO14
Net Charge 0
Average Mass 769.917
Monoisotopic Mass 769.42486
InChI InChI=1S/C39H63NO14/c1-21(2)37(46)54-36-25(6)50-30(20-39(36,7)47)52-33-24(5)51-38(32(45)31(33)40(8)9)53-34-26(16-17-41)18-22(3)27(42)15-13-11-12-14-23(4)49-29(44)19-28(43)35(34)48-10/h11-13,15,17,21-26,28,30-36,38,43,45,47H,14,16,18-20H2,1-10H3/b12-11+,15-13+/t22-,23-,24-,25+,26+,28-,30+,31-,32-,33-,34+,35+,36+,38+,39-/m1/s1
InChIKey REPPNUPKOJKPSP-ZZNWINOMSA-N
SMILES CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C
ChEBI Ontology
Outgoing Niddamycin (CHEBI:31908) is a macrolide (CHEBI:25106)
Synonym Source
Niddamycin KEGG COMPOUND
Manual Xref Database
C12152 KEGG COMPOUND
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Registry Number Type Source
20283-69-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014