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validamycin B

MNXM145223 is deprecated and here replaced by MNXM728487
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728487 Image of MNXM728487
referencechebi:90868
formulaC20H35NO14
global charge0
mol weight513.493
InChIKeyQYKWCMVFBWGYRE-XROCGEGMSA-N
InChIInChI=1S/C20H35NO14/c22-2-5-1-7(12(27)15(30)10(5)25)21-9-11(26)6(3-23)19(17(32)14(9)29)35-20-18(33)16(31)13(28)8(4-24)34-20/h1,6-33H,2-4H2/t6-,7-,8+,9-,10+,11+,12-,13+,14-,15-,16-,17+,18+,19+,20-/m0/s1
SMILESOCC1=C[C@H](N[C@@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C20H35NO14/c22-2-5-1-7(12(27)15(30)10(5)25)21-9-11(26)6(3-23)19(17(32)14(9)29)35-20-18(33)16(31)13(28)8(4-24)34-20/h1,6-33H,2-4H2/t6-,7-,8+,9-,10+,11+,12-,13+,14-,15-,16-,17+,18+,19+,20-/m0/s1 Image of MNXM728487
SMILES (mnx)[CH:1]1=[C:5]([CH2:2][OH:22])[C@@H:10]([OH:25])[C@H:15]([OH:30])[C@@H:12]([OH:27])[C@H:7]1[NH:21][C@H:9]1[C@H:11]([OH:26])[C@H:6]([CH2:3][OH:23])[C@@H:19]([O:35][C@H:20]2[C@H:18]([OH:33])[C@@H:16]([OH:31])[C@H:13]([OH:28])[C@@H:8]([CH2:4][OH:24])[O:34]2)[C@H:17]([OH:32])[C@H:14]1[OH:29]
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:90868
chebi:90868
QYKWCMVFBWGYRE-XROCGEGMSA-N 		validamycin B
(1R,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl beta-D-glucopyranoside
Antibiotic T-7545-B
T-7545-B
Val-B

seed.compound:cpd33318
seedM:cpd33318
QYKWCMVFBWGYRE-XROCGEGMSA-N 		(1R,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl beta-D-glucopyranoside
validamycin B

kegg.compound:C21293
keggC:C21293
QYKWCMVFBWGYRE-XROCGEGMSA-N 		Validamycin B
hmdb:HMDB0036593
QYKWCMVFBWGYRE-XROCGEGMSA-N 		Validamycin B
2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]oxy}oxane-3,4,5-triol
Antibiotic T 7545b
Antibiotic T-7545-b

metacyc.compound:CPD-18790
metacycM:CPD-18790
QYKWCMVFBWGYRE-XROCGEGMSA-O 		validamycin B
(1R,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl beta-D-glucopyranoside

hmdb:HMDB36593
keggC:M_C21293
seedM:M_cpd33318 		secondary/obsolete/fantasy identifier