CHEBI:205310 - Kanchanamycin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Kanchanamycin D
ChEBI ID CHEBI:205310
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C55H92N2O18
Net Charge 0
Average Mass 1069.337
Monoisotopic Mass 1068.63451
InChI InChI=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-
InChIKey OSYCGXNFXHMGMC-QWUNRXCDSA-N
SMILES O=C1OC(C(C=CC=C(C(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC=C1)C)O)O)C)O)C)O)(OC)C(O)C(C2)O)C)C)C(CCC/C=C/CCCNC(=O)N)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78444563 ChemSpider
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