CHEBI:221891 - Cirramycin F-1

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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 Cirramycin F-1
ChEBI ID CHEBI:221891
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H61NO12
Net Charge 0
Average Mass 711.890
Monoisotopic Mass 711.41938
InChI InChI=1S/C37H61NO12/c1-10-28-21(4)35-37(7,50-35)15-13-25(40)19(2)17-24(14-16-39)33(20(3)27(42)18-29(43)47-28)49-36-32(44)31(38(8)9)34(23(6)46-36)48-30-12-11-26(41)22(5)45-30/h13,15-16,19-24,26-28,30-36,41-42,44H,10-12,14,17-18H2,1-9H3/b15-13+/t19?,20?,21?,22-,23-,24?,26-,27?,28?,30?,31-,32-,33?,34?,35?,36?,37?/m1/s1
InChIKey SAOQQRXVSNNARU-HEZWJRDUSA-N
SMILES O=C1C=CC2(OC2C(C(OC(=O)CC(C(C(C(CC1C)CC=O)OC3O[C@@H](C(OC4O[C@@H]([C@H](O)CC4)C)[C@@H]([C@H]3O)N(C)C)C)C)O)CC)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Cirramycin F-1 (CHEBI:221891) is a aminoglycoside (CHEBI:47779)
IUPAC Name
2-[(14E)-9-[(3R,4R,6R)-4-(dimethylamino)-3-hydroxy-5-[(5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
Manual Xref Database
78445716 ChemSpider
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