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tacrolimus (anhydrous)

MNXM83250 is deprecated and here replaced by MNXM1106119
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1106119Image of MNXM1106119
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC44H69NO12
charge0
mass803.48198
referencechebi:61049
InChIKeyQJJXYPPXXYFBGM-LFZNUXCKSA-N
InChIInChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
SMILESC=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:61049
chebi:61049 		tacrolimus (anhydrous)
(-)-FK 506
(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone
8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN
FK 506
FK506
Prograf
Tacrolimus
tacrolimus
tacrolimus anhydrous
lipidmaps:LMPK04000003
lipidmapsM:LMPK04000003 		Tacrolimus
kegg.drug:D08556
keggD:D08556 		Tacrolimus (INN)
Prograf (TN)
kegg.compound:C01375
keggC:C01375 		Tacrolimus
FK 506
FK506
chebi:42555
chebi:4958
keggC:M_C01375
keggD:M_D08556 		secondary/obsolete/fantasy identifier