CHEBI:224918 - Inosamycin D

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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 Inosamycin D
ChEBI ID CHEBI:224918
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H44N4O15
Net Charge 0
Average Mass 616.618
Monoisotopic Mass 616.28032
InChI InChI=1S/C23H44N4O15/c24-2-7-13(32)15(34)10(26)21(37-7)40-18-5(25)1-6(30)12(31)20(18)42-23-17(36)19(9(4-29)39-23)41-22-11(27)16(35)14(33)8(3-28)38-22/h5-23,28-36H,1-4,24-27H2/t5-,6+,7+,8+,9+,10+,11-,12-,13+,14-,15+,16-,17+,18+,19+,20+,21+,22+,23-/m0/s1
InChIKey ZMRHISCREAEQQW-MXESDJFFSA-N
SMILES O1[C@H](O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4N)O)CN)[C@@H](N)C[C@H]([C@@H]3O)O)O[C@@H]2CO)[C@@H](N)[C@H](O)[C@H]([C@H]1CO)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Inosamycin D (CHEBI:224918) is a amino cyclitol (CHEBI:61689)
Inosamycin D (CHEBI:224918) is a glycoside (CHEBI:24400)
IUPAC Name
(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-6-amino-2-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol
Manual Xref Database
8569480 ChemSpider
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