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vincaleukoblastine

PropertiesImage
MNX_IDMNXM5987 Image of MNXM5987
referencechebi:27375
formulaC46H58N4O9
global charge0
mol weight810.989
InChIKeyJXLYSJRDGCGARV-XQKSVPLYSA-N
InChIInChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
SMILESCC[C@]1(O)C[C@H]2CN(CCC3=C(NC4=C3C=CC=C4)[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/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 Image of MNXM5987
SMILES (mnx)[CH3:1][CH2:8][C@:42]1([OH:54])[CH2:23][C@@H:28]2[CH2:24][C@@:45]([C:32]3=[C:35]([O:56][CH3:5])[CH:22]=[C:34]4[C:31](=[CH:21]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:37]36)[C@@H:39]([O:59][C:27]([CH3:3])=[O:51])[C@@:46]([C:41](=[O:53])[O:58][CH3:7])([OH:55])[C@@H:38]5[N:48]4[CH3:4])([C:40](=[O:52])[O:57][CH3:6])[C:36]3=[C:30]([CH2:15][CH2:19][N:49]([CH2:25]2)[CH2:26]1)[C:29]1=[CH:13][CH:10]=[CH:11][CH:14]=[C:33]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:27375
chebi:27375
JXLYSJRDGCGARV-XQKSVPLYSA-N 		vincaleukoblastine
(+)-vinblastine
(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE
VLB
vinblastina
vinblastine
vinblastinum

kegg.compound:C07201
keggC:C07201
JXLYSJRDGCGARV-XQKSVPLYSA-N 		Vinblastine

kegg.drug:D08675
keggD:D08675
JXLYSJRDGCGARV-XQKSVPLYSA-N 		Vinblastine (INN)
Vinblastina (TN)
hmdb:HMDB0014710
JXLYSJRDGCGARV-XQKSVPLYSA-N 		Vinblastine
(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE
(2a,2'b,3b,4a,5b)-VINCALEUKOBLASTINE
(2alpha,2'beta,3beta,4alpha,5beta)-vincaleukoblastine
Cell pharm brand OF vinblastine sulfate
Cellblastin
EG labo brand OF vinblastine sulfate
Faulding brand OF vinblastine sulfate
Gastrozepin brand OF vinblastine sulfate
Gry brand OF vinblastine sulfate
Hexal brand OF vinblastine sulfate
Lemblastine
Lemery brand OF vinblastine sulfate
Lilly brand OF vinblastine sulfate
Sulfate, vinblastine
VLB
Velban
Velbe
Vinblastin hexal
Vinblastina
Vinblastina lilly
Vinblastine sulfate
Vinblastinsulfat-gry
Vincaleukoblastine
methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0⁴,¹².0⁵,¹⁰]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
vinblastine

seed.compound:cpd04440
seedM:cpd04440
JXLYSJRDGCGARV-XQKSVPLYSA-P 		Vinblastine
vinblastine
vincaleukoblastine

metacyc.compound:CPD-7858
metacycM:CPD-7858
JXLYSJRDGCGARV-XQKSVPLYSA-P 		vinblastine
vincaleukoblastine

hmdb:HMDB14710
chebi:27287
chebi:46447
chebi:9983
keggC:M_C07201
keggD:M_D08675
seedM:M_cpd04440 		secondary/obsolete/fantasy identifier