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blasticidin S

MNXM4492 is deprecated and here replaced by MNXM736289
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736289 Image of MNXM736289
referencechebi:57289
formulaC17H27N8O5
global charge1
mol weight423.454
InChIKeyCXNPLSGKWMLZPZ-ZNIXKSQXSA-O
InChIInChI=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
SMILESCN(CC[C@H]([NH3+])CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]
MNX internals
InChI (mnx)InChI=1/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-/m0/s1 Image of MNXM736289
SMILES (mnx)[CH3:1][N:24]([CH2:6][CH2:4][C@@H:9]([CH2:8][C:12](=[N:22][C@H:10]1[CH:2]=[CH:3][C@H:13]([N:25]2[CH:7]=[CH:5][C:11](=[NH:19])[N:23]=[C:17]2[OH:29])[O:30][C@@H:14]1[C:15](=[O:27])[OH:28])[OH:26])[NH2:18])[C:16](=[NH:20])[NH2:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57289
chebi:57289
CXNPLSGKWMLZPZ-ZNIXKSQXSA-O 		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+)

CHEBI:182497
chebi:182497
CXNPLSGKWMLZPZ-LBLJTAPMSA-N 		(2S,3S,6R)-3-[[3-Amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
(2S,3S,6R)-3-[[3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid

kegg.compound:C02010
keggC:C02010
CXNPLSGKWMLZPZ-LBLJTAPMSA-N 		Blasticidin S

vmhM:blstcdns
vmhmetabolite:blstcdns
CXNPLSGKWMLZPZ-ZNIXKSQXSA-N 		Blasticidin S
(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

seed.compound:cpd01375
seedM:cpd01375
CXNPLSGKWMLZPZ-ZNIXKSQXSA-O 		Blasticidin S
blasticidin S
blasticidin-S

metacyc.compound:BLASTICIDIN-S
metacycM:BLASTICIDIN-S
CXNPLSGKWMLZPZ-ZNIXKSQXSA-O 		blasticidin S

CHEBI:15353
chebi:15353
CXNPLSGKWMLZPZ-ZNIXKSQXSA-N 		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
vmhM:M_blstcdns 		secondary/obsolete/fantasy identifier