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CHEBI:211423 - (2R,3S,4R)-10-De-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin D

ChEBI IDCHEBI:211423
ChEBI Name(2R,3S,4R)-10-De-O-carbamoyl-12-O-carbamoyl-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](O)[C@@H](COC(N)=O)O[C@H]1NC1=N[C@H]2C(=O)NC[C@@H](O)[C@H]2N1
InChIInChI=1S/C33H60N12O11/c1-16(46)41-19(7-4-10-39-23(49)12-18(36)6-3-9-38-22(48)11-17(35)5-2-8-34)13-24(50)42-27-29(52)28(51)21(15-55-32(37)54)56-31(27)45-33-43-25-20(47)14-40-30(53)26(25)44-33/h17-21,25-29,31,47,51-52H,2-15,34-36H2,1H3,(H2,37,54)(H,38,48)(H,39,49)(H,40,53)(H,41,46)(H,42,50)(H2,43,44,45)/t17-,18-,19-,20-,21-,25-,26-,27-,28+,29+,31-/m1/s1
InChIKeyNCCCZGXVMRHANP-AMLXFVRNSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies I08A 1776 (ncbitaxon:945930) - PubMed (22781281)
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4R)-10-De-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin D (CHEBI:211423) 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]-3,4-dihydroxyoxan-2-yl]methyl carbamate
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