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acetylblasticidin S

MNXM40084 is deprecated and here replaced by MNXM735453
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735453 Image of MNXM735453
referencechebi:2413
formulaC19H28N8O6
global charge0
mol weight464.483
InChIKeyKKMQGSAQSNGBOY-RKLWJJNISA-N
InChIInChI=1S/C19H28N8O6/c1-10(28)23-11(5-7-26(2)18(21)22)9-14(29)24-12-3-4-15(33-16(12)17(30)31)27-8-6-13(20)25-19(27)32/h3-4,6,8,11-12,15-16H,5,7,9H2,1-2H3,(H3,21,22)(H,23,28)(H,24,29)(H,30,31)(H2,20,25,32)/t11-,12-,15+,16-/m0/s1
SMILESCC(=O)N[C@@H](CCN(C)C(=N)N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O
MNX internals
InChI (mnx)InChI=1/C19H28N8O6/c1-10(28)23-11(5-7-26(2)18(21)22)9-14(29)24-12-3-4-15(33-16(12)17(30)31)27-8-6-13(20)25-19(27)32/h3-4,6,8,11-12,15-16H,5,7,9H2,1-2H3,(H3,21,22)(H,23,28)(H,24,29)(H,30,31)(H2,20,25,32)/t11-,12-,15+,16-/m0/s1 Image of MNXM735453
SMILES (mnx)[CH3:1][C:10](=[N:23][C@@H:11]([CH2:5][CH2:7][N:26]([CH3:2])[C:18](=[NH:21])[NH2:22])[CH2:9][C:14](=[N:24][C@H:12]1[CH:3]=[CH:4][C@H:15]([N:27]2[CH:8]=[CH:6][C:13](=[NH:20])[N:25]=[C:19]2[OH:32])[O:33][C@@H:16]1[C:17](=[O:30])[OH:31])[OH:29])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:2413
chebi:2413
KKMQGSAQSNGBOY-RKLWJJNISA-N 		acetylblasticidin S
1-(4-{[(3S)-3-acetamido-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)-4-aminopyrimidin-2(1H)-one
Acetylblasticidin S

metacyc.compound:CPD-17173
metacycM:CPD-17173
seed.compound:cpd35456
seedM:cpd35456
KKMQGSAQSNGBOY-RKLWJJNISA-N 		N-acetylblasticidin S

seedM:M_cpd35456 		secondary/obsolete/fantasy identifier