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vincristine

PropertiesImage
MNX_IDMNXM13261 Image of MNXM13261
referencechebi:28445
formulaC46H56N4O10
global charge0
mol weight824.972
InChIKeyOGWKCGZFUXNPDA-XQKSVPLYSA-N
InChIInChI=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
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=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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM13261
SMILES (mnx)[CH3:1][CH2:7][C@:42]1([OH:55])[CH2:22][C@@H:28]2[CH2:23][C@@:45]([C:32]3=[C:35]([O:57][CH3:4])[CH:21]=[C:34]4[C:31](=[CH:20]3)[C@:44]35[CH2:16][CH2:19][N:49]6[CH2:17][CH:11]=[CH:15][C@:43]([CH2:8][CH3:2])([C@@H:37]36)[C@@H:39]([O:60][C:27]([CH3:3])=[O:52])[C@@:46]([C:41](=[O:54])[O:59][CH3:6])([OH:56])[C@@H:38]5[N:50]4[CH:26]=[O:51])([C:40](=[O:53])[O:58][CH3:5])[C:36]3=[C:30]([CH2:14][CH2:18][N:48]([CH2:24]2)[CH2:25]1)[C:29]1=[CH:12][CH:9]=[CH:10][CH:13]=[C:33]1[NH:47]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28445
chebi:28445
OGWKCGZFUXNPDA-XQKSVPLYSA-N 		vincristine
(+)-Vincristine
22-Oxovincaleukoblastine
22-oxo-vincaleukoblastine
22-oxovincaleukoblastine
Vincristine
leucristine
leurocristine
oncovin
vincristin
vinkristin

kegg.drug:D08679
keggD:D08679
OGWKCGZFUXNPDA-XQKSVPLYSA-N 		Vincristine (INN)
Tecnocris (TN)
hmdb:HMDB0014681
OGWKCGZFUXNPDA-XQKSVPLYSA-N 		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
OGWKCGZFUXNPDA-XQKSVPLYSA-N 		Vincristine
22-Oxovincaleukoblastine
Leurocristine

seed.compound:cpd04442
seedM:cpd04442
OGWKCGZFUXNPDA-XQKSVPLYSA-P 		Vincristine
22-Oxovincaleukoblastine
vincristine

metacyc.compound:CPD-19894
metacycM:CPD-19894
OGWKCGZFUXNPDA-XQKSVPLYSA-N 		vincristine
leurocristine
oncovin (brand name)

CHEBI:143658
chebi:143658
OGWKCGZFUXNPDA-XQKSVPLYSA-P 		vincristine
vincristine(2+)

hmdb:HMDB14681
chebi:27289
chebi:9987
keggC:M_C07204
keggD:M_D08679
seedM:M_cpd04442 		secondary/obsolete/fantasy identifier