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CHEBI:218472 - Streptothricin C acid

ChEBI IDCHEBI:218472
ChEBI NameStreptothricin C acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H72N14O12
Net Charge0
Average Mass905.069
Monoisotopic Mass904.54541
SMILESNCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)NC1C(NC2=N[C@H](C(=O)O)[C@@H]([C@H](O)CN)N2)OC(COC(N)=O)C(O)C1O
InChIInChI=1S/C37H72N14O12/c38-9-1-5-19(40)13-25(53)45-10-2-6-20(41)14-26(54)46-11-3-7-21(42)15-27(55)47-12-4-8-22(43)16-28(56)48-31-33(58)32(57)24(18-62-36(44)61)63-34(31)51-37-49-29(23(52)17-39)30(50-37)35(59)60/h19-24,29-34,52,57-58H,1-18,38-43H2,(H2,44,61)(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,59,60)(H2,49,50,51)/t19-,20-,21-,22-,23+,24?,29+,30-,31?,32?,33?,34?/m0/s1
InChIKeyBHFHTDAKZAZTTL-URXYOYLSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces qinlingensis (ncbitaxon:360709) - PubMed (19168980)
ChEBI Ontology
Outgoing Relation(s)
Streptothricin C acid (CHEBI:218472) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(4S,5S)-2-[[3-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(carbamoyloxymethyl)-4,5-dihydroxyoxan-2-yl]amino]-5-[(1R)-2-amino-1-hydroxyethyl]-4,5-dihydro-1H-imidazole-4-carboxylic acid
Manual XrefsDatabases
78445293ChemSpider