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3-O-alpha-L-mycarosylerythronolide B

MNXM3487 is deprecated and here replaced by MNXM734583
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734583 Image of MNXM734583
referencechebi:28343
formulaC28H50O10
global charge0
mol weight546.698
InChIKeyWWWXDCNRNMZGEN-UPOWUTDQSA-N
InChIInChI=1S/C28H50O10/c1-10-19-14(3)22(30)15(4)21(29)13(2)11-27(8,34)24(31)16(5)23(17(6)26(33)37-19)38-20-12-28(9,35)25(32)18(7)36-20/h13-20,22-25,30-32,34-35H,10-12H2,1-9H3/t13-,14+,15+,16+,17-,18+,19-,20+,22+,23+,24-,25+,27-,28-/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@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
MNX internals
InChI (mnx)InChI=1/C28H50O10/c1-10-19-14(3)22(30)15(4)21(29)13(2)11-27(8,34)24(31)16(5)23(17(6)26(33)37-19)38-20-12-28(9,35)25(32)18(7)36-20/h13-20,22-25,30-32,34-35H,10-12H2,1-9H3/t13-,14+,15+,16+,17-,18+,19-,20+,22+,23+,24-,25+,27-,28-/m1/s1 Image of MNXM734583
SMILES (mnx)[CH3:1][CH2:10][C@@H:19]1[C@H:14]([CH3:3])[C@H:22]([OH:30])[C@@H:15]([CH3:4])[C:21](=[O:29])[C@H:13]([CH3:2])[CH2:11][C@@:27]([CH3:8])([OH:34])[C@H:24]([OH:31])[C@@H:16]([CH3:5])[C@H:23]([O:38][C@H:20]2[CH2:12][C@@:28]([CH3:9])([OH:35])[C@@H:25]([OH:32])[C@H:18]([CH3:7])[O:36]2)[C@@H:17]([CH3:6])[C:26](=[O:33])[O:37]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28343
chebi:28343
WWWXDCNRNMZGEN-UPOWUTDQSA-N 		3-O-alpha-L-mycarosylerythronolide B
(3R,4S,5R,6R,7R,9R,11R,12S,13R,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
3-O-Mycarosylerythronolide B
3-O-alpha-mycarosylerythronolide B
4-(4,5-dihydroxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Antibiotic A-31438

seed.compound:cpd04034
seedM:cpd04034
WWWXDCNRNMZGEN-UPOWUTDQSA-N 		3-O-Mycarosylerythronolide B
3-O-alpha-Mycarosylerythronolide B
3-alpha-L-Mycarosylerythronolide B
3-alpha-mycarosylerythronolide B
4-(4,5-Dihydroxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
alpha-L-mycarosyl erythronolide B

kegg.compound:C06630
keggC:C06630
WWWXDCNRNMZGEN-UPOWUTDQSA-N 		3-O-alpha-Mycarosylerythronolide B
3-alpha-L-Mycarosylerythronolide B
4-(4,5-Dihydroxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

metacyc.compound:CPD-13837
metacycM:CPD-13837
WWWXDCNRNMZGEN-UPOWUTDQSA-N 		3-alpha-mycarosylerythronolide B
alpha-L-mycarosyl erythronolide B

chebi:1616
chebi:19951
keggC:M_C06630
seedM:M_cpd04034 		secondary/obsolete/fantasy identifier