CHEBI:223042 - (þ)-(2S,3S,4R)-10-De-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F acid

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ChEBI Name (þ)-(2S,3S,4R)-10-De-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F acid
ChEBI ID CHEBI:223042
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H38N8O10
Net Charge 0
Average Mass 562.581
Monoisotopic Mass 562.27109
InChI InChI=1S/C21H38N8O10/c1-8(30)25-9(3-2-4-22)5-12(32)26-15-17(34)16(33)11(7-38-20(24)37)39-18(15)29-21-27-13(10(31)6-23)14(28-21)19(35)36/h9-11,13-18,31,33-34H,2-7,22-23H2,1H3,(H2,24,37)(H,25,30)(H,26,32)(H,35,36)(H2,27,28,29)/t9-,10+,11?,13+,14-,15?,16?,17?,18?/m0/s1
InChIKey LDYDNDBXTDINHR-WRMBZWPFSA-N
SMILES O=C(OCC1OC(NC2=N[C@H](C(=O)O)[C@H](N2)[C@H](O)CN)C(NC(=O)C[C@@H](NC(=O)C)CCCN)C(C1O)O)N
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing (þ)-(2S,3S,4R)-10-De-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F acid (CHEBI:223042) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name
(4S,5S)-2-[[3-[[(3S)-3-acetamido-6-aminohexanoyl]amino]-6-(carbamoyloxymethyl)-4,5-dihydroxyoxan-2-yl]amino]-5-[(1R)-2-amino-1-hydroxyethyl]-4,5-dihydro-1H-imidazole-4-carboxylic acid
Manual Xref Database
78445309 ChemSpider
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