EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:9984 - vincaleukoblastine sulfate

ChEBI IDCHEBI:9984
ChEBI Namevincaleukoblastine sulfate
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC46H58N4O9.H2O4S
Net Charge0
Average Mass909.068
Monoisotopic Mass908.38776
SMILESO=S(=O)(O)O.[H][C@@]12N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C[N@](CCc6c4nc4ccccc64)C[C@](O)(CC)C5)cc3[C@@]13CCN1CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@]13[H]
InChIInChI=1S/C46H58N4O9.H2O4S/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;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1
InChIKeyKDQAABAKXDWYSZ-JKDPCDLQSA-N
ChEBI Ontology
Outgoing Relation(s)
vincaleukoblastine sulfate (CHEBI:9984) has functional parent vincaleukoblastine (CHEBI:27375)
vincaleukoblastine sulfate (CHEBI:9984) is a alkaloid sulfate salt (CHEBI:38013)
IUPAC Name 
vincaleukoblastine sulfate
Synonyms  Source
Vinblastine sulfateKEGG COMPOUND
Velban (TN)KEGG DRUG
Exal (TN)KEGG DRUG
VLB monosulfateChemIDplus
Vinblastine 5ChemIDplus
Vincaleukoblastine sulfate (1:1) (salt)ChemIDplus
Manual XrefsDatabases
C11626KEGG COMPOUND
D01068KEGG DRUG
Registry NumbersSources
CAS:143-67-9KEGG COMPOUND
CAS:143-67-9ChemIDplus