CHEBI:200683 - Demethylblasticidin S

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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 Demethylblasticidin S
ChEBI ID CHEBI:200683
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H24N8O5
Net Charge 0
Average Mass 408.419
Monoisotopic Mass 408.18697
InChI InChI=1S/C16H24N8O5/c17-8(3-5-21-15(19)20)7-11(25)22-9-1-2-12(29-13(9)14(26)27)24-6-4-10(18)23-16(24)28/h1-2,4,6,8-9,12-13H,3,5,7,17H2,(H,22,25)(H,26,27)(H2,18,23,28)(H4,19,20,21)/t8-,9-,12+,13-/m0/s1
InChIKey OJVBAQZCFZMOBW-NGERZBJRSA-N
SMILES O=C1N=C(N)C=CN1[C@@H]2O[C@H](C(=O)O)[C@@H](NC(=O)C[C@@H](N)CCN=C(N)N)C=C2
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Demethylblasticidin S (CHEBI:200683) has functional parent β-amino acid (CHEBI:33706)
Demethylblasticidin S (CHEBI:200683) is a organonitrogen compound (CHEBI:35352)
Demethylblasticidin S (CHEBI:200683) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2S,3S,6R)-3-[[(3S)-3-amino-5-(diaminomethylideneamino)pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Manual Xref Database
171764 ChemSpider
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