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Blasticidin S

Properties

Image

Occurences in reactions

MNX_ID

MNXM736290

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₇H₂₆N₈O₅

charge

mass

422.20262

reference

hmdb:HMDB0030452

InChIKey

CXNPLSGKWMLZPZ-QOBDMFJFSA-N

InChI

InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10+,13-,14+/m1/s1

SMILES

CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)O)C(=N)N

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0030452	Blasticidin S (2S,3S,6R)-3-{[(3R)-3-amino-1-hydroxy-5-(N-methylcarbamimidamido)pentylidene]amino}-6-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylate (2S,3S,6R)-6-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-[(3R)-3-amino-5-(1-methylcarbamimidamido)pentanamido]-3,6-dihydro-2H-pyran-2-carboxylic acid (2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-[(3R)-3-amino-5-(1-methylcarbamimidamido)pentanamido]-3,6-dihydro-2H-pyran-2-carboxylic acid Antibiotic 21544 Antibiotic a 83094C Bla-S Blasticidin S, carbamodithioate, (S)-isomer Blasticidin S, dodecyl sulfate, (S)-isomer Blasticidin S, hydrochloride, (S)-isomer Blasticidin S, methyl sulfate, (S)-isomer Blasticidin S, monohydrochloride, (S)-isomer Cytovirin NSC 91770 a 83094C
hmdb:HMDB30452	secondary/obsolete/fantasy identifier