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CHEBI:220225 - Ciromicin B

ChEBI IDCHEBI:220225
ChEBI NameCiromicin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38N2O7
Net Charge0
Average Mass514.619
Monoisotopic Mass514.26790
SMILESC[C@H]1CN2C(=O)[C@H]3/C=C/C=C/[C@H]4[C@@H](C=C[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5N)[C@]4(C)O)/C=C/C=C/[C@H]3[C@@H]2[C@@H]1O
InChIInChI=1S/C28H38N2O7/c1-15-13-30-23(24(15)32)17-8-4-3-7-16-11-12-21(37-27-22(29)25(33)20(31)14-36-27)28(2,35)19(16)10-6-5-9-18(17)26(30)34/h3-12,15-25,27,31-33,35H,13-14,29H2,1-2H3/b7-3+,8-4+,9-5+,10-6+/t15-,16+,17+,18-,19-,20+,21-,22+,23+,24+,25-,27-,28+/m0/s1
InChIKeySOTLGQXRNHXQPW-HNGCRXNPSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis (ncbitaxon:2013) - PubMed (26039241)
ChEBI Ontology
Outgoing Relation(s)
Ciromicin B (CHEBI:220225) is a azamacrocycle (CHEBI:52898)
Ciromicin B (CHEBI:220225) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,2E,4E,6S,7R,8S,11R,12E,14E,16R,17R,18R,19S)-8-[(2S,3R,4R,5R)-3-amino-4,5-dihydroxyoxan-2-yl]oxy-7,18-dihydroxy-7,19-dimethyl-21-azatetracyclo[14.6.0.06,11.017,21]docosa-2,4,9,12,14-pentaen-22-one
Manual XrefsDatabases
35000194ChemSpider