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rifamycin SV

MNXM4809 is deprecated and here replaced by MNXM1363979
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363979 Image of MNXM1363979
referencechebi:84571
formulaC37H46NO12
global charge-1
mol weight696.77
InChIKeyHJYYPODYNSCCOU-ODRIEIDWSA-M
InChIInChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/p-1/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
SMILESCO[C@H]1/C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(C([O-])=C3C)C(O)=C(C=C2O)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/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1 Image of MNXM1363979
SMILES (mnx)[CH3:1][C@H:16]1/[CH:11]=[CH:10]/[CH:12]=[C:17]([CH3:2])\[C:36]([OH:46])=[N:38]/[C:23]2=[C:32]([OH:44])[C:27]3=[C:31]([OH:43])[C:21]([CH3:6])=[C:34]4[C:28](=[C:26]3[C:24]([OH:40])=[CH:15]2)[C:35](=[O:45])[C@@:37]([CH3:8])([O:48]/[CH:14]=[CH:13]/[C@H:25]([O:47][CH3:9])[C@@H:18]([CH3:3])[C@@H:33]([O:49][C:22]([CH3:7])=[O:39])[C@H:20]([CH3:5])[C@H:30]([OH:42])[C@H:19]([CH3:4])[C@H:29]1[OH:41])[O:50]4
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84571
chebi:84571
HJYYPODYNSCCOU-ODRIEIDWSA-M 		rifamycin SV
(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-6,9,17,19-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-5-olate
rifamycin SV(1-)

kegg.drug:D02549
keggD:D02549
HJYYPODYNSCCOU-ODRIEIDWSA-N 		Rifamycin (USAN/INN)
Rifamycin SV

kegg.compound:C12044
keggC:C12044
HJYYPODYNSCCOU-ODRIEIDWSA-N 		Rifamycin
Rifamycin SV

seed.compound:cpd08835
seedM:cpd08835
HJYYPODYNSCCOU-ODRIEIDWSA-N 		Rifamycin
Rifamycin SV
rifamycin SV
rifocin

CHEBI:29673
chebi:29673
HJYYPODYNSCCOU-ODRIEIDWSA-N 		rifamycin SV
(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-5,6,9,17,19-pentahydroxy-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-21-yl acetate
Rifamycin
Rifamycin SV
Rifocin
Rifocyn
rifamicina
rifamycin
rifamycine
rifamycinum

metacyc.compound:CPD-10236
metacycM:CPD-10236
HJYYPODYNSCCOU-ODRIEIDWSA-N 		rifamycin SV
rifocin

keggC:M_C12044
keggD:M_D02549
seedM:M_cpd08835 		secondary/obsolete/fantasy identifier