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CHEBI:220048 - Kijanimicin

ChEBI IDCHEBI:220048
ChEBI NameKijanimicin
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SubmitterMetaboLights
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FormulaC67H100N2O24
Net Charge0
Average Mass1317.527
Monoisotopic Mass1316.66660
SMILESCOC(=O)N[C@H]1[C@@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C[C@@H](O[C@H]6CC(O[C@H]7C[C@H](O)[C@@H](O)[C@H](C)O7)C(O[C@@H]7C[C@@H](O)[C@@H](OC)[C@H](C)O7)[C@H](C)O6)[C@@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(C[C@@H](C)C(CO)=C[C@H]4/C=C/2C)C3=O)C[C@]1(C)[N+](=O)[O-]
InChIInChI=1S/C67H100N2O24/c1-29-15-18-45(88-52-27-65(11,69(79)80)60(38(10)87-52)68-64(78)82-14)30(2)20-40-21-39(28-70)33(5)26-67(40)62(76)53(63(77)93-67)61(75)66(12)42(29)17-16-41-54(66)31(3)19-32(4)57(41)91-51-24-46(56(74)35(7)84-51)89-50-25-47(90-48-22-43(71)55(73)34(6)83-48)59(37(9)86-50)92-49-23-44(72)58(81-13)36(8)85-49/h15-17,20-21,31-38,40-52,54-60,70-75H,18-19,22-28H2,1-14H3,(H,68,78)/b29-15+,30-20+,61-53-/t31-,32-,33+,34-,35-,36-,37-,38+,40+,41-,42-,43-,44+,45-,46+,47?,48-,49+,50-,51-,52-,54+,55-,56-,57-,58-,59?,60-,65-,66+,67-/m0/s1
InChIKeyLKSBZILVASNBPF-JFDQBIMLSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (7328052)
ChEBI Ontology
Outgoing Relation(s)
Kijanimicin (CHEBI:220048) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
methyl N-[(2R,3R,4S,6R)-6-[[(1S,3R,6S,7E,9S,11E,13S,16S,17S,18S,20S,21R,22S,23E)-17-[(2R,4R,5S,6S)-4-[(2S,6S)-4-[(2S,4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-23-hydroxy-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-2,4-dimethyl-4-nitrooxan-3-yl]carbamate