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CHEBI:227742 - (2R,3S,4R)-Nbeta-acetylstreptothricin D

ChEBI IDCHEBI:227742
ChEBI Name(2R,3S,4R)-Nbeta-acetylstreptothricin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H60N12O11
Net Charge0
Average Mass800.916
Monoisotopic Mass800.45045
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](OC(N)=O)[C@@H](CO)O[C@H]1NC1=N[C@H]2C(=O)NC[C@@H](O)[C@H]2N1
InChIInChI=1S/C33H60N12O11/c1-16(47)41-19(7-4-10-39-23(50)12-18(36)6-3-9-38-22(49)11-17(35)5-2-8-34)13-24(51)42-27-28(52)29(56-32(37)54)21(15-46)55-31(27)45-33-43-25-20(48)14-40-30(53)26(25)44-33/h17-21,25-29,31,46,48,52H,2-15,34-36H2,1H3,(H2,37,54)(H,38,49)(H,39,50)(H,40,53)(H,41,47)(H,42,51)(H2,43,44,45)/t17-,18-,19-,20-,21-,25-,26-,27-,28+,29+,31-/m1/s1
InChIKeyWPMGFKKSCCXUAK-AMLXFVRNSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies I08A 1776 (ncbitaxon:945930) - PubMed (22781281)
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4R)-Nbeta-acetylstreptothricin D (CHEBI:227742) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
[(2R,3R,4S,5R,6R)-6-[[(3aR,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3R)-3-acetamido-6-[[(3R)-3-amino-6-[[(3R)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
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