CHEBI:197786 - N-methyl-streptothricin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-methyl-streptothricin D
ChEBI ID CHEBI:197786
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H60N12O10
Net Charge 0
Average Mass 772.906
Monoisotopic Mass 772.45554
InChI InChI=1S/C32H60N12O10/c1-44-14-19(46)24-25(30(44)51)42-32(41-24)43-29-26(27(50)28(54-31(37)52)20(15-45)53-29)40-23(49)13-18(36)7-4-10-39-22(48)12-17(35)6-3-9-38-21(47)11-16(34)5-2-8-33/h16-20,24-29,45-46,50H,2-15,33-36H2,1H3,(H2,37,52)(H,38,47)(H,39,48)(H,40,49)(H2,41,42,43)/t16?,17?,18?,19-,20?,24-,25+,26?,27?,28?,29?/m1/s1
InChIKey SMGKDTRGGAAALL-OHOJOCITSA-N
SMILES O=C1N(C[C@@H](O)[C@@H]2[C@@H]1N=C(NC3OC(C(OC(=O)N)C(C3NC(=O)CC(N)CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCN)O)CO)N2)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing N-methyl-streptothricin D (CHEBI:197786) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name
[6-[[(3aS,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
Manual Xref Database
78443782 ChemSpider
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