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tubocurarine

MNXM13197 is deprecated and here replaced by MNXM1367537
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1367537 Image of MNXM1367537
referencechebi:9774
formulaC37H41N2O6
global charge1
mol weight609.743
InChIKeyJFJZZMVDLULRGK-URLMMPGGSA-O
InChIInChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1
SMILESCOC1=CC2=C3C=C1OC1=CC(=CC=C1O)C[C@@H]1C4=C(C=C(OC)C(O)=C4OC4=CC=C(C=C4)C[C@@H]3N(C)CC2)CC[N+]1(C)C
MNX internals
InChI (mnx)InChI=1/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/t28-,29+/m0/s1 Image of MNXM1367537
SMILES (mnx)[CH3:1][N:38]1[CH2:14][CH2:12][C:24]2=[CH:19][C:32]([O:42][CH3:4])=[C:33]3[CH:21]=[C:27]2[C@@H:28]1[CH2:16][C:22]1=[CH:7][CH:10]=[C:26]([CH:9]=[CH:6]1)[O:44][C:37]1=[C:36]([O-:41])[C:34]([O:43][CH3:5])=[CH:20][C:25]2=[C:35]1[C@@H:29]([CH2:17][C:23]1=[CH:8][CH:11]=[C:30]([OH:40])[C:31](=[CH:18]1)[O:45]3)[N+:39]([CH3:2])([CH3:3])[CH2:15][CH2:13]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:9774
chebi:9774
JFJZZMVDLULRGK-URLMMPGGSA-O 		tubocurarine
(+)-tubocurarine
7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium
7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium
Tubocurarin
Tubocurarine
d-tubocurarine

kegg.compound:C07547
keggC:C07547
JFJZZMVDLULRGK-URLMMPGGSA-O 		Tubocurarine
hmdb:HMDB0015330
JFJZZMVDLULRGK-URLMMPGGSA-O 		Tubocurarine
(+)-Tubocurarine
(1S,16R)-9,21-dihydroxy-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁸,²².0²⁷,³¹.0¹⁶,³⁴]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaen-15-ium
7',12'-Dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium
D-Tubocurare
D-Tubocurarine
D-Tubocurarine chloride
Isoquinoline alkaloid
Tubocurare
Tubocurarin
Tubocurarine chloride
Tubocurarinum
tubocurarine

hmdb:HMDB15330
keggC:M_C07547 		secondary/obsolete/fantasy identifier