MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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34a-Deoxy-rifamycin W

MNXM164272 is deprecated and here replaced by MNXM730966
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM730966
reference	chebi:34349
formula	C₃₅H₄₅NO₁₀
global charge	0
mol weight	639.742
InChIKey	VFGOUSMZKMNRLA-CVQHHNHTSA-N
InChI	InChI=1S/C35H45NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-20,27-28,30-31,38-39,41-44H,1-8H3,(H,36,46)/b10-9+,15-11-,17-12+/t14-,16-,18+,19+,20+,27-,28-,30+,31+/m0/s1
SMILES	CC1=C(O)C2=C3C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C(\C)C2=O)C(=O)C3=C1O

MNX internals

InChI (mnx)	InChI=1/C35H45NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-20,27-28,30-31,38-39,41-44H,1-8H3,(H,36,46)/b10-9+,15-11-,17-12+/t14-,16-,18+,19+,20+,27-,28-,30+,31+/m0/s1
SMILES (mnx)	[CH3:1][C@H:14]1/[CH:10]=[CH:9]/[CH:11]=[C:15]([CH3:2])\[C:35]([OH:46])=[N:36]/[C:22]2=[CH:13][C:23](=[O:37])[C:24]3=[C:25]([C:29](=[O:40])/[C:17]([CH3:4])=[CH:12]/[C@H:16]([CH3:3])[C@H:28]([OH:39])[C@@H:19]([CH3:6])[C@@H:31]([OH:42])[C@H:20]([CH3:7])[C@H:30]([OH:41])[C@H:18]([CH3:5])[C@H:27]1[OH:38])[C:32]([OH:43])=[C:21]([CH3:8])[C:33]([OH:44])=[C:26]3[C:34]2=[O:45]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd10419 seedM:cpd10419 CHEBI:34349 chebi:34349 kegg.compound:C14721 keggC:C14721 VFGOUSMZKMNRLA-CVQHHNHTSA-M VFGOUSMZKMNRLA-CVQHHNHTSA-N	34a-Deoxy-rifamycin W
metacyc.compound:CPD-10242 metacycM:CPD-10242 seed.compound:cpd22612 seedM:cpd22612 VFGOUSMZKMNRLA-CVQHHNHTSA-M VFGOUSMZKMNRLA-CVQHHNHTSA-N	34alpha-deoxy-rifamycin W
keggC:M_C14721 seedM:M_cpd10419 seedM:M_cpd22612	secondary/obsolete/fantasy identifier