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erythromycin D

MNXM1557 is deprecated and here replaced by MNXM729710
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM729710 Image of MNXM729710
referencechebi:63677
formulaC36H66NO12
global charge1
mol weight704.919
InChIKeyCLQUUOKNEOQBSW-KEGKUKQHSA-O
InChIInChI=1S/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/p+1/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
MNX internals
InChI (mnx)InChI=1/C36H65NO12/c1-13-25-19(4)28(39)20(5)27(38)17(2)15-36(10,44)32(49-34-29(40)24(37(11)12)14-18(3)45-34)21(6)30(22(7)33(42)47-25)48-26-16-35(9,43)31(41)23(8)46-26/h17-26,28-32,34,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21+,22-,23+,24+,25-,26+,28+,29-,30+,31+,32-,34+,35-,36-/m1/s1 Image of MNXM729710
SMILES (mnx)[CH3:1][CH2:13][C@@H:25]1[C@H:19]([CH3:4])[C@H:28]([OH:39])[C@@H:20]([CH3:5])[C:27](=[O:38])[C@H:17]([CH3:2])[CH2:15][C@@:36]([CH3:10])([OH:44])[C@H:32]([O:49][C@H:34]2[C@H:29]([OH:40])[C@@H:24]([N:37]([CH3:11])[CH3:12])[CH2:14][C@@H:18]([CH3:3])[O:45]2)[C@@H:21]([CH3:6])[C@H:30]([O:48][C@H:26]2[CH2:16][C@@:35]([CH3:9])([OH:43])[C@@H:31]([OH:41])[C@H:23]([CH3:8])[O:46]2)[C@@H:22]([CH3:7])[C:33](=[O:42])[O:47]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63677
chebi:63677
CLQUUOKNEOQBSW-KEGKUKQHSA-O 		erythromycin D
erythromycin D(+1)
erythromycin D(1+)

kegg.compound:C06633
keggC:C06633
vmhM:ermcnd
vmhmetabolite:ermcnd
CLQUUOKNEOQBSW-KEGKUKQHSA-N 		Erythromycin D

seed.compound:cpd04037
seedM:cpd04037
CLQUUOKNEOQBSW-KEGKUKQHSA-O 		Erythromycin D
erythromycin D

metacyc.compound:CPD-13806
metacycM:CPD-13806
CLQUUOKNEOQBSW-KEGKUKQHSA-O 		erythromycin D

CHEBI:28331
chebi:28331
CLQUUOKNEOQBSW-KEGKUKQHSA-N 		erythromycin D
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12-dihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
Erythromycin D

chebi:23951
chebi:4844
keggC:M_C06633
seedM:M_cpd04037
vmhM:M_ermcnd 		secondary/obsolete/fantasy identifier