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CHEBI:220219 - Ciromicin A

ChEBI IDCHEBI:220219
ChEBI NameCiromicin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38N2O7
Net Charge0
Average Mass514.619
Monoisotopic Mass514.26790
SMILESC[C@H]1CN2C(=O)/C=C/C=C/C=C/[C@@](C)(O)C(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3N)/C=C\C=C\C=C\C=C/[C@@H]2[C@@H]1O
InChIInChI=1S/C28H38N2O7/c1-19-17-30-20(25(19)33)13-9-5-3-4-6-10-14-22(37-27-24(29)26(34)21(31)18-36-27)28(2,35)16-12-8-7-11-15-23(30)32/h3-16,19-22,24-27,31,33-35H,17-18,29H2,1-2H3/b5-3+,6-4+,8-7+,13-9-,14-10-,15-11+,16-12+/t19-,20+,21+,22?,24+,25+,26-,27-,28+/m0/s1
InChIKeyBOXGALHYKYOYFJ-NTIGGAKHSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis (ncbitaxon:2013) - PubMed (26039241)
ChEBI Ontology
Outgoing Relation(s)
Ciromicin A (CHEBI:220219) is a azamacrocycle (CHEBI:52898)
Ciromicin A (CHEBI:220219) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3E,5E,7E,9R,11Z,13E,15E,17Z,19R,20R,21S)-10-[(2S,3R,4R,5R)-3-amino-4,5-dihydroxyoxan-2-yl]oxy-9,20-dihydroxy-9,21-dimethyl-1-azabicyclo[17.3.0]docosa-3,5,7,11,13,15,17-heptaen-2-one