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validamycin A

MNXM22422 is deprecated and here replaced by MNXM732705
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732705 Image of MNXM732705
referencechebi:90869
formulaC20H36NO13
global charge1
mol weight498.502
InChIKeyJARYYMUOCXVXNK-CSLFJTBJSA-O
InChIInChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/p+1/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1
SMILESOCC1=C[C@H]([NH2+][C@H]2C[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1 Image of MNXM732705
SMILES (mnx)[CH:1]1=[C:6]([CH2:3][OH:22])[C@@H:11]([OH:25])[C@H:15]([OH:29])[C@@H:12]([OH:26])[C@H:8]1[NH:21][C@H:9]1[CH2:2][C@H:7]([CH2:4][OH:23])[C@@H:19]([O:34][C@H:20]2[C@H:18]([OH:32])[C@@H:16]([OH:30])[C@H:14]([OH:28])[C@@H:10]([CH2:5][OH:24])[O:33]2)[C@H:17]([OH:31])[C@H:13]1[OH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:90869
chebi:90869
JARYYMUOCXVXNK-CSLFJTBJSA-O 		validamycin A
(1S,4R,5S,6S)-N-[(1S,2S,3R,4R,5R)-4-(beta-D-glucopyranosyloxy)-2,3-dihydroxy-5-(hydroxymethyl)cyclohexyl]-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-aminium
validamycin A(1+)

kegg.compound:C12112
keggC:C12112
JARYYMUOCXVXNK-CSLFJTBJSA-N 		Validamycin A
Validacin
Validamycin
Valimon

seed.compound:cpd08894
seedM:cpd08894
JARYYMUOCXVXNK-CSLFJTBJSA-O 		Valimon
(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl beta-D-glucopyranoside
Validacin
Validamycin
Validamycin A
jinggangmycin
validamycin
validamycin A

CHEBI:29703
chebi:29703
JARYYMUOCXVXNK-CSLFJTBJSA-N 		validamycin A
(+)-validamycin A
(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl beta-D-glucopyranoside
(1S-(1alpha,4alpha,5beta,6alpha))-1,5,6-trideoxy-4-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiro-inositol
1,5,6-trideoxy-4-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol
1L-(1,3,4/2,6)-2,3-dihydroxy-6-hydroxymethyl-4-((1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethylcyclohex-2-enylamino)cyclohexyl beta-D-glucopyranoside
D-1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiroinositol
T-7545-A
Validacin
Validamycin
Valimon
jinganmycin A

metacyc.compound:VALIDAMYCIN-A
metacycM:VALIDAMYCIN-A
JARYYMUOCXVXNK-CSLFJTBJSA-O 		validamycin A
(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl beta-D-glucopyranoside
jinggangmycin

keggC:M_C12112
seedM:M_cpd08894 		secondary/obsolete/fantasy identifier