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rifamycin B

MNXM3353 is deprecated and here replaced by MNXM1104417
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104417

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₃₉H₄₇NO₁₄

charge

-2

mass

753.30075

reference

chebi:58306

InChIKey

SQTCRTQCPJICLD-KTQDUKAHSA-L

InChI

InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,44-47H,16H2,1-9H3,(H,40,49)(H,42,43)/p-2/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1

SMILES

CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(cc(OCC(=O)[O-])c4c3C2=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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58306 chebi:58306	rifamycin B rifamycin B dianion rifamycin B(2-) {[(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-acetoxy-6,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-5-oxido-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl]oxy}acetate
kegg.compound:C01848 keggC:C01848 lipidmaps:LMPK05000003 lipidmapsM:LMPK05000003	Rifamycin B
seed.compound:cpd01271 seedM:cpd01271	Rifamycin B 4-O-(carboxymethyl)rifamycin rifamycin B rifamycin-B
CHEBI:17876 chebi:17876	rifamycin B 4-O-(Carboxymethyl)rifamycin Acetic acid, ((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)-oxy)-, 21-acetate Rifamycin B [(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-acetyloxy-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yloxy]acetic acid
metacyc.compound:RIFAMYCIN-B metacycM:RIFAMYCIN-B	rifamycin B 4-O-(carboxymethyl)rifamycin rifamycin-B
chebi:15053 chebi:26578 chebi:8859 keggC:M_C01848 seedM:M_cpd01271	secondary/obsolete/fantasy identifier