CHEBI:224150 - SF-837 A2

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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 SF-837 A2
ChEBI ID CHEBI:224150
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H69NO15
Net Charge 0
Average Mass 828.006
Monoisotopic Mass 827.46672
InChI InChI=1S/C42H69NO15/c1-11-15-32(47)56-40-27(6)53-34(23-42(40,7)50)57-37-26(5)54-41(36(49)35(37)43(8)9)58-38-28(18-19-44)20-24(3)16-13-14-17-29(45)21-25(4)52-33(48)22-30(39(38)51-10)55-31(46)12-2/h13-14,16-17,19,24-30,34-41,45,49-50H,11-12,15,18,20-23H2,1-10H3/b16-13-,17-14+/t24?,25?,26-,27+,28?,29?,30?,34?,35-,36-,37-,38?,39?,40+,41?,42-/m1/s1
InChIKey SKJWNXQDSGAHBF-YAOAPHNTSA-N
SMILES O=C1OC(CC(O)C=CC=CC(CC(C(C(C(C1)OC(=O)CC)OC)OC2O[C@@H]([C@@H](OC3O[C@H]([C@H](OC(=O)CCC)[C@@](C3)(O)C)C)[C@@H]([C@H]2O)N(C)C)C)CC=O)C)C
Metabolite of Species Details
Streptomyces mycarofaciens (NCBI:txid1949) See: PubMed
ChEBI Ontology
Outgoing SF-837 A2 (CHEBI:224150) is a aminoglycoside (CHEBI:47779)
IUPAC Name
[(2S,3S,4R)-6-[(2R,3S,4R,5R)-4-(dimethylamino)-5-hydroxy-6-[[(10Z,12E)-14-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-10,12-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
Manual Xref Database
78445737 ChemSpider
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