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streptothricin D acid

MNXM6444 is deprecated and here replaced by MNXM739148
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739148 Image of MNXM739148
referencechebi:60839
formulaC31H65N12O11
global charge5
mol weight781.934
InChIKeyDLWGZGTWTREZQM-UFFKCXTPSA-S
InChIInChI=1S/C31H60N12O11/c32-7-1-4-15(34)10-20(46)38-8-2-5-16(35)11-21(47)39-9-3-6-17(36)12-22(48)40-25-26(49)27(54-30(37)52)19(14-44)53-28(25)43-31-41-23(18(45)13-33)24(42-31)29(50)51/h15-19,23-28,44-45,49H,1-14,32-36H2,(H2,37,52)(H,38,46)(H,39,47)(H,40,48)(H,50,51)(H2,41,42,43)/p+5/t15-,16-,17-,18+,19+,23+,24-,25+,26-,27-,28+/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]([C@H](O)C[NH3+])[C@@H](C(=O)[O-])N2)O[C@@H]1CO
MNX internals
InChI (mnx)InChI=1/C31H60N12O11/c32-7-1-4-15(34)10-20(46)38-8-2-5-16(35)11-21(47)39-9-3-6-17(36)12-22(48)40-25-26(49)27(54-30(37)52)19(14-44)53-28(25)43-31-41-23(18(45)13-33)24(42-31)29(50)51/h15-19,23-28,44-45,49H,1-14,32-36H2,(H2,37,52)(H,38,46)(H,39,47)(H,40,48)(H,50,51)(H2,41,42,43)/t15-,16-,17-,18+,19+,23+,24-,25+,26-,27-,28+/m0/s1 Image of MNXM739148
SMILES (mnx)[CH2:1]([CH2:4][C@@H:15]([CH2:10][C:20](=[N:38][CH2:8][CH2:2][CH2:5][C@@H:16]([CH2:11][C:21](=[N:39][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:54][C:30](=[NH:37])[OH:52])[C@@H:19]([CH2:14][OH:44])[O:53][C@H:28]1[NH:43][C:31]1=[N:41][C@H:23]([C@@H:18]([CH2:13][NH2:33])[OH:45])[C@@H:24]([C:29](=[O:50])[OH:51])[NH:42]1)[OH:48])[NH2:36])[OH:47])[NH2:35])[OH:46])[NH2:34])[CH2:7][NH2:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60839
chebi:60839
DLWGZGTWTREZQM-UFFKCXTPSA-S 		streptothricin D acid
(2E,4S,5S)-2-{[(2R,3R,4S,5R,6R)-3-{[(3S)-3-ammonio-6-{[(3S)-3-ammonio-6-{[(3S)-3,6-diammoniohexanoyl]amino}hexanoyl]amino}hexanoyl]amino}-5-(carbamoyloxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]iminio}-5-[(1R)-2-ammonio-1-hydroxyethyl]imidazolidine-4-carboxylate
streptothricin D acid (pH 7.3)

metacyc.compound:CPD-12721
metacycM:CPD-12721
seed.compound:cpd23552
seedM:cpd23552
DLWGZGTWTREZQM-RMZZIURSSA-S 		streptothricin D acid

CHEBI:60830
chebi:60830
DLWGZGTWTREZQM-UFFKCXTPSA-N 		streptothricin D acid
2-{[(3S)-3-amino-6-{[(3S)-3-amino-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}hexanoyl]amino}-N-{(4S,5S)-4-[(1R)-2-amino-1-hydroxyethyl]-5-carboxyimidazolidin-2-ylidene}-4-O-carbamoyl-2-deoxy-beta-D-gulopyranosylamine
antibiotic OP 2C acid
racemomycin B acid

seedM:M_cpd23552 		secondary/obsolete/fantasy identifier