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vincristine

Properties

Image

Occurences in reactions

MNX_ID

MNXM13261

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₄₆H₅₆N₄O₁₀

charge

mass

824.39964

reference

chebi:28445

InChIKey

OGWKCGZFUXNPDA-XQKSVPLYSA-N

InChI

InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1

SMILES

CC[C@]1(O)C[C@H]2C[N@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[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:28445 chebi:28445	vincristine (+)-Vincristine 22-Oxovincaleukoblastine 22-oxo-vincaleukoblastine 22-oxovincaleukoblastine Vincristine leucristine leurocristine oncovin vincristin vinkristin
kegg.drug:D08679 keggD:D08679	Vincristine (INN) Tecnocris (TN)
hmdb:HMDB0014681	Vincristine (+)-Vincristine 22-Oxovincaleukoblastine 22-oxo-Vincaleukoblastine Cellcristin Citomid Farmistin Indole alkaloid LCR Leucristine Leurocristine Oncovin Oncovine Onkocristin PFS, Vincasar Sulfate, vincristine Tecnocris VCR VIN Vincasar Vincasar PFS Vincristin Vincristin bristol Vincristin medac Vincristina Vincristine sulfate Vincrisul Vincrstine Vincrystine Vinkristin Vintec Z-D-Val-lys(Z)-OH 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]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,13-tetraene-10-carboxylate vincristine
kegg.compound:C07204 keggC:C07204	Vincristine 22-Oxovincaleukoblastine
seed.compound:cpd04442 seedM:cpd04442	Vincristine 22-Oxovincaleukoblastine vincristine
metacyc.compound:CPD-19894 metacycM:CPD-19894	vincristine leurocristine oncovin (brand name)
CHEBI:143658 chebi:143658	vincristine vincristine(2+)
hmdb:HMDB14681 chebi:27289 chebi:9987 keggC:M_C07204 keggD:M_D08679 seedM:M_cpd04442	secondary/obsolete/fantasy identifier