Search MNXref
 Feedback

3',4'-Anhydrovinblastine

MNXM164510 is deprecated and here replaced by MNXM731012
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731012 Image of MNXM731012
referencechebi:1322
formulaC46H56N4O8
global charge0
mol weight792.974
InChIKeyFFRFGVHNKJYNOV-DOVUUNBWSA-N
InChIInChI=1S/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38+,39-,40-,43-,44-,45+,46+/m1/s1
SMILESCCC1=C[C@H]2CN(CCC3=C(NC4=CC=CC=C43)[C@@](C(=O)OC)(C3=CC4=C(C=C3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
MNX internals
InChI (mnx)InChI=1/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38+,39-,40-,43-,44-,45+,46+/m1/s1 Image of MNXM731012
SMILES (mnx)[CH3:1][CH2:8][C:28]1=[CH:21][C@@H:29]2[CH2:24][C@@:45]([C:33]3=[C:36]([O:55][CH3:5])[CH:23]=[C:35]4[C:32](=[CH:22]3)[C@:44]35[CH2:17][CH2:20][N:50]6[CH2:18][CH:12]=[CH:16][C@:43]([CH2:9][CH3:2])([C@@H:38]36)[C@@H:40]([O:58][C:27]([CH3:3])=[O:51])[C@@:46]([C:42](=[O:53])[O:57][CH3:7])([OH:54])[C@@H:39]5[N:48]4[CH3:4])([C:41](=[O:52])[O:56][CH3:6])[C:37]3=[C:31]([CH2:15][CH2:19][N:49]([CH2:25]1)[CH2:26]2)[C:30]1=[CH:13][CH:10]=[CH:11][CH:14]=[C:34]1[NH:47]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:1322
chebi:1322
FFRFGVHNKJYNOV-DOVUUNBWSA-N 		3',4'-Anhydrovinblastine
anhydrovincaleukoblastine

seed.compound:cpd08452
seedM:cpd08452
kegg.compound:C11641
keggC:C11641
FFRFGVHNKJYNOV-DOVUUNBWSA-N
FFRFGVHNKJYNOV-DOVUUNBWSA-P 		3',4'-Anhydrovinblastine

metacyc.compound:CPD-13001
metacycM:CPD-13001
seed.compound:cpd23689
seedM:cpd23689
FFRFGVHNKJYNOV-DOVUUNBWSA-P 		alpha-3',4'-anhydrovinblastine

keggC:M_C11641
seedM:M_cpd08452
seedM:M_cpd23689 		secondary/obsolete/fantasy identifier