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erythromycin C

Properties

Image

Occurences in reactions

MNX_ID

MNXM732481

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₃₆H₆₆NO₁₃

charge

mass

720.918

reference

chebi:64258

InChIKey

MWFRKHPRXPSWNT-QNPWSHAKSA-O

InChI

InChI=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

SMILES

[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

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:64258 chebi:64258	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	Erythromycin C
hmdb:HMDB0251935	Erythromycin C 4-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione erythromycin, N-demethyl-
seed.compound:cpd04020 seedM:cpd04020	Erythromycin C erythromycin C
metacyc.compound:CPD-13951 metacycM:CPD-13951	erythromycin C
CHEBI:64273 chebi:64273	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	secondary/obsolete/fantasy identifier