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CHEBI:221891 - Cirramycin F-1

ChEBI IDCHEBI:221891
ChEBI NameCirramycin F-1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H61NO12
Net Charge0
Average Mass711.890
Monoisotopic Mass711.41938
SMILESCCC1OC(=O)CC(O)C(C)C(OC2O[C@H](C)C(OC3CC[C@@H](O)[C@@H](C)O3)[C@H](N(C)C)[C@H]2O)C(CC=O)CC(C)C(=O)/C=C/C2(C)OC2C1C
InChIInChI=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
InChIKeySAOQQRXVSNNARU-HEZWJRDUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2925516)
ChEBI Ontology
Outgoing Relation(s)
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
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78445716ChemSpider