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rifamycin O

MNXM4808 is deprecated and here replaced by MNXM1363977
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363977 Image of MNXM1363977
referencechebi:16324
formulaC39H47NO14
global charge0
mol weight753.798
InChIKeyRAFHKEAPVIWLJC-KQOHHTLASA-N
InChIInChI=1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,30-,31+,34+,38-,39?/m0/s1
SMILESCO[C@H]1/C=C/O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(=CC5(OCC(=O)O5)C4=C3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,30-,31+,34+,38-,39?/m0/s1 Image of MNXM1363977
SMILES (mnx)[CH3:1][C@H:17]1/[CH:11]=[CH:10]/[CH:12]=[C:18]([CH3:2])\[C:37]([OH:48])=[N:40]/[C:24]2=[CH:15][C:39]3([C:29]4=[C:28]5[C:35](=[C:22]([CH3:6])[C:32]([OH:45])=[C:27]4[C:33]2=[O:46])[O:54][C@@:38]([CH3:8])([C:36]5=[O:47])[O:50]/[CH:14]=[CH:13]/[C@H:25]([O:49][CH3:9])[C@@H:19]([CH3:3])[C@@H:34]([O:52][C:23]([CH3:7])=[O:41])[C@H:21]([CH3:5])[C@H:31]([OH:44])[C@H:20]([CH3:4])[C@H:30]1[OH:43])[O:51][CH2:16][C:26](=[O:42])[O:53]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16324
chebi:16324
RAFHKEAPVIWLJC-KQOHHTLASA-N 		rifamycin O
(2'S,12'Z,14'E,16'S,17'S,18'R,19'R,20'R,21'S,22'R,23'S,24'E)-5',17',19'-trihydroxy-23'-methoxy-2',4',12',16',18',20',22'-heptamethyl-1',4,6',11'-tetraoxo-1',2'-dihydro-6'H-spiro[1,3-dioxolane-2,9'-[2,7](epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan]-21'-yl acetate
Rifamycin O
Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, gamma-lactone

kegg.compound:C01849
keggC:C01849
RAFHKEAPVIWLJC-KQOHHTLASA-N 		Rifamycin O

seed.compound:cpd01272
seedM:cpd01272
RAFHKEAPVIWLJC-KQOHHTLASA-N 		Rifamycin O
rifamycin-O

metacyc.compound:RIFAMYCIN-O
metacycM:RIFAMYCIN-O
RAFHKEAPVIWLJC-KQOHHTLASA-N 		rifamycin O
rifamycin-O

chebi:15054
chebi:26579
chebi:8860
keggC:M_C01849
seedM:M_cpd01272 		secondary/obsolete/fantasy identifier