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vincaleukoblastine

Properties

Image

Occurences in reactions

MNX_ID

MNXM5987

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₄₆H₅₈N₄O₉

charge

mass

810.42038

reference

chebi:27375

InChIKey

JXLYSJRDGCGARV-XQKSVPLYSA-N

InChI

InChI=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

SMILES

CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27375 chebi:27375	vincaleukoblastine (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE VLB Vinblastine
kegg.compound:C07201 keggC:C07201	Vinblastine
kegg.drug:D08675 keggD:D08675	Vinblastine (INN) Vinblastina (TN)
hmdb:HMDB0014710	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	Vinblastine vinblastine vincaleukoblastine
metacyc.compound:CPD-7858 metacycM:CPD-7858	vinblastine vincaleukoblastine
hmdb:HMDB14710 chebi:27287 chebi:46447 chebi:9983 keggC:M_C07201 keggD:M_D08675 seedM:M_cpd04440	secondary/obsolete/fantasy identifier