Search MNXref
 Feedback

erythromycin C

MNXM2119 is deprecated and here replaced by MNXM732481
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732481 Image of MNXM732481
referencechebi:64258
formulaC36H66NO13
global charge1
mol weight720.918
InChIKeyMWFRKHPRXPSWNT-QNPWSHAKSA-O
InChIInChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/p+1/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,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@]1(C)O
MNX internals
InChI (mnx)InChI=1/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1 Image of MNXM732481
SMILES (mnx)[CH3:1][CH2:13][C@@H:24]1[C@@:36]([CH3:10])([OH:45])[C@H:29]([OH:40])[C@@H:19]([CH3:4])[C:26](=[O:38])[C@H:17]([CH3:2])[CH2:15][C@@:35]([CH3:9])([OH:44])[C@H:31]([O:50][C@H:33]2[C@H:27]([OH:39])[C@@H:23]([N:37]([CH3:11])[CH3:12])[CH2:14][C@@H:18]([CH3:3])[O:46]2)[C@@H:20]([CH3:5])[C@H:28]([O:49][C@H:25]2[CH2:16][C@@:34]([CH3:8])([OH:43])[C@@H:30]([OH:41])[C@H:22]([CH3:7])[O:47]2)[C@@H:21]([CH3:6])[C:32](=[O:42])[O:48]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:64258
chebi:64258
MWFRKHPRXPSWNT-QNPWSHAKSA-O 		erythromycin C
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
erythromycin C cation
erythromycin C(1+)

kegg.compound:C06616
keggC:C06616
vmhM:ermcnc
vmhmetabolite:ermcnc
MWFRKHPRXPSWNT-QNPWSHAKSA-N
MWFRKHPRXPSWNT-QNPWSHAKSA-O 		Erythromycin C

seed.compound:cpd04020
seedM:cpd04020
MWFRKHPRXPSWNT-QNPWSHAKSA-O 		Erythromycin C
erythromycin C

metacyc.compound:CPD-13951
metacycM:CPD-13951
MWFRKHPRXPSWNT-QNPWSHAKSA-O 		erythromycin C

CHEBI:64273
chebi:64273
MWFRKHPRXPSWNT-QNPWSHAKSA-N 		erythromycin C
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
3''-O-Demethylerythromycin

keggC:M_C06616
seedM:M_cpd04020
vmhM:M_ermcnc 		secondary/obsolete/fantasy identifier