CHEBI:9984 - vincaleukoblastine sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name vincaleukoblastine sulfate
ChEBI ID CHEBI:9984
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formulae C46H58N4O9.H2O4S
C46H60N4O13S
Net Charge 0
Average Mass 909.05376
Monoisotopic Mass 908.38776
InChI InChI=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
InChIKey KDQAABAKXDWYSZ-JKDPCDLQSA-N
SMILES OS(O)(=O)=O.[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC
ChEBI Ontology
Outgoing 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 Sources
Exal (TN) KEGG DRUG
Velban (TN) KEGG DRUG
Vinblastine 5 ChemIDplus
Vinblastine sulfate KEGG COMPOUND
Vincaleukoblastine sulfate (1:1) (salt) ChemIDplus
VLB monosulfate ChemIDplus
Manual Xrefs Databases
C11626 KEGG COMPOUND
D01068 KEGG DRUG
View more database links
Registry Numbers Types Sources
143-67-9 CAS Registry Number KEGG COMPOUND
143-67-9 CAS Registry Number ChemIDplus
Last Modified
17 October 2009