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rifamycin B

MNXM3353 is deprecated and here replaced by MNXM1363968
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363968 Image of MNXM1363968
referencechebi:58306
formulaC39H47NO14
global charge-2
mol weight753.798
InChIKeySQTCRTQCPJICLD-KTQDUKAHSA-L
InChIInChI=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
SMILESCO[C@H]1/C=C/O[C@@]2(C)OC3=C(C)C([O-])=C4C(O)=C(C=C(OCC(=O)[O-])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/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)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1 Image of MNXM1363968
SMILES (mnx)[CH3:1][C@H:17]1/[CH:11]=[CH:10]/[CH:12]=[C:18]([CH3:2])\[C:38]([OH:49])=[N:40]/[C:24]2=[C:34]([OH:47])[C:29]3=[C:33]([OH:46])[C:22]([CH3:6])=[C:36]4[C:30](=[C:28]3[C:26]([O:51][CH2:16][C:27](=[O:42])[OH:43])=[CH:15]2)[C:37](=[O:48])[C@@:39]([CH3:8])([O:52]/[CH:14]=[CH:13]/[C@H:25]([O:50][CH3:9])[C@@H:19]([CH3:3])[C@@H:35]([O:53][C:23]([CH3:7])=[O:41])[C@H:21]([CH3:5])[C@H:32]([OH:45])[C@H:20]([CH3:4])[C@H:31]1[OH:44])[O:54]4
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:58306
chebi:58306
SQTCRTQCPJICLD-KTQDUKAHSA-L 		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
SQTCRTQCPJICLD-KTQDUKAHSA-N 		Rifamycin B

CHEBI:17876
chebi:17876
SQTCRTQCPJICLD-KTQDUKAHSA-N 		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
SQTCRTQCPJICLD-KTQDUKAHSA-M 		rifamycin B
4-O-(carboxymethyl)rifamycin
rifamycin-B

chebi:15053
chebi:26578
chebi:8859
keggC:M_C01848 		secondary/obsolete/fantasy identifier