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CHEBI:214419 - (2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin D acid

ChEBI IDCHEBI:214419
ChEBI Name(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin D acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H62N12O12
Net Charge0
Average Mass818.931
Monoisotopic Mass818.46102
SMILESCC(=O)N[C@@H](CCCNC(=O)C[C@@H](N)CCCNC(=O)C[C@@H](N)CCCN)CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](COC(N)=O)O[C@H]1NC1=N[C@H](C(=O)O)[C@@H]([C@H](O)CN)N1
InChIInChI=1S/C33H62N12O12/c1-16(46)41-19(7-4-10-40-23(49)12-18(37)6-3-9-39-22(48)11-17(36)5-2-8-34)13-24(50)42-27-29(52)28(51)21(15-56-32(38)55)57-30(27)45-33-43-25(20(47)14-35)26(44-33)31(53)54/h17-21,25-30,47,51-52H,2-15,34-37H2,1H3,(H2,38,55)(H,39,48)(H,40,49)(H,41,46)(H,42,50)(H,53,54)(H2,43,44,45)/t17-,18-,19-,20+,21+,25+,26-,27+,28-,29-,30+/m0/s1
InChIKeyIRQLHLODRZDTDD-KJHZUQIMSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies I08A 1776 (ncbitaxon:945930) - PubMed (22939698)
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin D acid (CHEBI:214419) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(4S,5S)-2-[[(2R,3R,4S,5R,6R)-3-[[(3S)-3-acetamido-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]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
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