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CHEBI:214813 - Incednine

ChEBI IDCHEBI:214813
ChEBI NameIncednine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H63N3O8
Net Charge0
Average Mass737.979
Monoisotopic Mass737.46152
SMILESCN[C@H]1[C@H](O[C@H]2/C=C\C=C\C(C)=C\C=C\C(C)=C\C[C@H](C)NC(=O)/C(OC)=C/C(C)=C/C=C/C=C/[C@@]2(C)O)OC[C@@H](O[C@H]2CC[C@H](NC)[C@@H](C)O2)[C@@H]1O
InChIInChI=1S/C42H63N3O8/c1-28-16-12-13-20-36(53-41-38(44-8)39(46)35(27-50-41)52-37-24-23-33(43-7)32(5)51-37)42(6,48)25-14-10-11-17-30(3)26-34(49-9)40(47)45-31(4)22-21-29(2)19-15-18-28/h10-21,25-26,31-33,35-39,41,43-44,46,48H,22-24,27H2,1-9H3,(H,45,47)/b11-10+,16-12+,19-15+,20-13-,25-14+,28-18+,29-21+,30-17+,34-26-/t31-,32+,33-,35+,36-,37-,38+,39-,41-,42+/m0/s1
InChIKeyVTEKRFJHUHAGJO-WNETYGQVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (18205364)
ChEBI Ontology
Outgoing Relation(s)
Incednine (CHEBI:214813) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3Z,5E,7E,9E,11R,12S,13Z,15E,17E,19E,21E,24S)-11-hydroxy-12-[(2S,3R,4R,5R)-4-hydroxy-3-(methylamino)-5-[(2S,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]oxyoxan-2-yl]oxy-3-methoxy-5,11,17,21,24-pentamethyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one
Manual XrefsDatabases
28290051ChemSpider