CHEBI:27375 - vincaleukoblastine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name vincaleukoblastine
ChEBI ID CHEBI:27375
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46447, CHEBI:27287, CHEBI:9983
Supplier Information
Save molfile Download Molfile
more structures >>
Formulae C46H58N4O9
C46H58N4O9
Net Charge 0
Average Mass 810.97410
Monoisotopic Mass 810.420
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
InChIKey JXLYSJRDGCGARV-XQKSVPLYSA-N
SMILES [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]2CN(CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing vincaleukoblastine (CHEBI:27375) is a acetate ester (CHEBI:47622)
vincaleukoblastine (CHEBI:27375) is a indole alkaloid fundamental parent (CHEBI:38482)
vincaleukoblastine (CHEBI:27375) is a methyl ester (CHEBI:25248)
vincaleukoblastine (CHEBI:27375) is a organic heteropentacyclic compound (CHEBI:38164)
vincaleukoblastine (CHEBI:27375) is a organic heterotetracyclic compound (CHEBI:38163)
vincaleukoblastine (CHEBI:27375) is a tertiary alcohol (CHEBI:26878)
vincaleukoblastine (CHEBI:27375) is a tertiary amino compound (CHEBI:50996)
vincaleukoblastine (CHEBI:27375) is a vinca alkaloid (CHEBI:27288)
Incoming vincaleukoblastine sulfate (CHEBI:9984) has functional parent vincaleukoblastine (CHEBI:27375)
vindesine (CHEBI:36373) has functional parent vincaleukoblastine (CHEBI:27375)
vincristine (CHEBI:28445) has parent hydride vincaleukoblastine (CHEBI:27375)
IUPAC Name
vincaleukoblastine
Synonyms Sources
(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE PDBeChem
Vinblastine KEGG COMPOUND
VLB ChemIDplus
Database Links Databases
C00001781 KNApSAcK
C07201 KEGG COMPOUND
D08675 KEGG DRUG
DB00570 DrugBank
VLB PDBeChem
View more database links
Registry Numbers Types Sources
4779207 Beilstein Registry Number Beilstein
865-21-4 CAS Registry Number KEGG COMPOUND
865-21-4 CAS Registry Number ChemIDplus
Last Modified
31 March 2015