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streptothricin D

MNXM6443 is deprecated and here replaced by MNXM739146
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739146 Image of MNXM739146
referencechebi:60829
formulaC31H63N12O10
global charge5
mol weight763.919
InChIKeyWUJTXMVGXDQPNN-OTQKCRDJSA-S
InChIInChI=1S/C31H58N12O10/c32-7-1-4-15(33)10-20(46)37-8-2-5-16(34)11-21(47)38-9-3-6-17(35)12-22(48)40-25-26(49)27(53-30(36)51)19(14-44)52-29(25)43-31-41-23-18(45)13-39-28(50)24(23)42-31/h15-19,23-27,29,44-45,49H,1-14,32-35H2,(H2,36,51)(H,37,46)(H,38,47)(H,39,50)(H,40,48)(H2,41,42,43)/p+5/t15-,16-,17-,18+,19+,23+,24-,25+,26-,27-,29+/m0/s1
SMILESNC(=O)O[C@@H]1[C@@H](O)[C@@H](NC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCC[NH3+])[C@H](/[NH+]=C2\N[C@@H]3[C@H](O)CNC(=O)[C@H]3N2)O[C@@H]1CO
MNX internals
InChI (mnx)InChI=1/C31H58N12O10/c32-7-1-4-15(33)10-20(46)37-8-2-5-16(34)11-21(47)38-9-3-6-17(35)12-22(48)40-25-26(49)27(53-30(36)51)19(14-44)52-29(25)43-31-41-23-18(45)13-39-28(50)24(23)42-31/h15-19,23-27,29,44-45,49H,1-14,32-35H2,(H2,36,51)(H,37,46)(H,38,47)(H,39,50)(H,40,48)(H2,41,42,43)/t15-,16-,17-,18+,19+,23+,24-,25+,26-,27-,29+/m0/s1 Image of MNXM739146
SMILES (mnx)[CH2:1]([CH2:4][C@@H:15]([CH2:10][C:20](=[N:37][CH2:8][CH2:2][CH2:5][C@@H:16]([CH2:11][C:21](=[N:38][CH2:9][CH2:3][CH2:6][C@@H:17]([CH2:12][C:22](=[N:40][C@@H:25]1[C@H:26]([OH:49])[C@@H:27]([O:53][C:30](=[NH:36])[OH:51])[C@@H:19]([CH2:14][OH:44])[O:52][C@H:29]1[NH:43][C:31]1=[N:41][C@@H:23]2[C@H:18]([OH:45])[CH2:13][N:39]=[C:28]([OH:50])[C@H:24]2[NH:42]1)[OH:48])[NH2:35])[OH:47])[NH2:34])[OH:46])[NH2:33])[CH2:7][NH2:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60829
chebi:60829
WUJTXMVGXDQPNN-OTQKCRDJSA-S 		streptothricin D
(4S)-6-{[(4S)-4-ammonio-6-{[(4S)-4-ammonio-6-{[(2R,3R,4S,5R,6R)-5-(carbamoyloxy)-4-hydroxy-6-(hydroxymethyl)-2-{[(2E,3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-ylidene]ammonio}tetrahydro-2H-pyran-3-yl]amino}-6-oxohexyl]amino}-6-oxohexyl]amino}-6-oxohexane-1,4-diaminium
antibiotic OP 2C penta-cation
antibiotic OP 2C pentacation
antibiotic OP 2C(5+)
racemomycin B penta-cation
racemomycin B pentacation
racemomycin B(5+)
streptothricin D penta-cation
streptothricin D pentacation
streptothricin D(5+)

metacyc.compound:CPD-12720
metacycM:CPD-12720
seed.compound:cpd23551
seedM:cpd23551
WUJTXMVGXDQPNN-MCIZGYCYSA-S 		streptothricin D

CHEBI:60828
chebi:60828
WUJTXMVGXDQPNN-OTQKCRDJSA-N 		streptothricin D
2-{[(3S)-3-amino-6-{[(3S)-3-amino-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}hexanoyl]amino}-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-ylidene]-beta-D-gulopyranosylamine
antibiotic OP 2C
racemomycin B

seedM:M_cpd23551 		secondary/obsolete/fantasy identifier