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CHEBI:205310 - Kanchanamycin D

ChEBI IDCHEBI:205310
ChEBI NameKanchanamycin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC55H92N2O18
Net Charge0
Average Mass1069.337
Monoisotopic Mass1068.63451
SMILESCOC12CC(O)C(C)CCC(O)C(C)C(O)CC(O)C(C)/C=C\C=C/C(=O)OC(C(C)CCC/C=C/CCCNC(N)=O)C(C)/C=C\C=C(\C)C(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC(CC(O)C1O)O2
InChIInChI=1S/C55H92N2O18/c1-33-17-13-14-21-50(68)74-52(36(4)18-12-10-8-9-11-15-24-57-54(56)71)37(5)20-16-19-34(2)44(61)27-40(59)25-39(58)26-41(73-51(69)31-49(66)67)28-42-29-47(64)53(70)55(72-7,75-42)32-48(65)35(3)22-23-43(60)38(6)46(63)30-45(33)62/h8-9,13-14,16-17,19-21,33,35-48,52-53,58-65,70H,10-12,15,18,22-32H2,1-7H3,(H,66,67)(H3,56,57,71)/b9-8+,17-13-,20-16-,21-14-,34-19-
InChIKeyOSYCGXNFXHMGMC-QWUNRXCDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8823507)
ChEBI Ontology
Outgoing Relation(s)
Kanchanamycin D (CHEBI:205310) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(10E,12E,18E,20E)-15-[(E)-10-(carbamoylamino)dec-6-en-2-yl]-5,7,9,23,25,27,31,34,35-nonahydroxy-33-methoxy-10,14,22,26,30-pentamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
Manual XrefsDatabases
78444563ChemSpider