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blasticidin S

MNXM4492 is deprecated and here replaced by MNXM736289
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM736289

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₁₇H₂₇N₈O₅

charge

mass

423.20989

reference

chebi:57289

InChIKey

CXNPLSGKWMLZPZ-ZNIXKSQXSA-O

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)/p+1/t9-,10-,13+,14-/m0/s1

SMILES

CN(CC[C@H]([NH3+])CC(=O)N[C@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57289 chebi:57289	blasticidin S 4-amino-1-(4-{[(3S)-3-ammonio-5-{[ammonio(imino)methyl](methyl)amino}pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranosyluronosyl)pyrimidin-2(1H)-one blasticidin S(1+)
kegg.compound:C02010 keggC:C02010	Blasticidin S
seed.compound:cpd01375 seedM:cpd01375	Blasticidin S blasticidin S blasticidin-S
metacyc.compound:BLASTICIDIN-S metacycM:BLASTICIDIN-S	blasticidin S
CHEBI:15353 chebi:15353	blasticidin S 4-amino-1-(4-{[(3S)-3-amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)pyrimidin-2(1H)-one Blasticidin S Blasticidin-S
chebi:13917 chebi:22904 chebi:3137 chebi:41133 keggC:M_C02010 seedM:M_cpd01375	secondary/obsolete/fantasy identifier