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CHEBI:480999 - vinorelbine
| Formula | C45H54N4O8 |
| Net Charge | 0 |
| Average Mass | 778.947 |
| Monoisotopic Mass | 778.39416 |
| SMILES | [H][C@]12C=C(CC)CN(Cc3c(nc4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@]3([H])[C@@](O)(C(=O)OC)[C@]([H])(OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@]65[H])C1)C2 |
| InChI | InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1 |
| InChIKey | GBABOYUKABKIAF-IELIFDKJSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. photosensitizing agent A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| vinorelbine (CHEBI:480999) has role antineoplastic agent (CHEBI:35610) |
| vinorelbine (CHEBI:480999) has role photosensitizing agent (CHEBI:47868) |
| vinorelbine (CHEBI:480999) is a acetate ester (CHEBI:47622) |
| vinorelbine (CHEBI:480999) is a methyl ester (CHEBI:25248) |
| vinorelbine (CHEBI:480999) is a organic heteropentacyclic compound (CHEBI:38164) |
| vinorelbine (CHEBI:480999) is a organic heterotetracyclic compound (CHEBI:38163) |
| vinorelbine (CHEBI:480999) is a ring assembly (CHEBI:36820) |
| vinorelbine (CHEBI:480999) is a vinca alkaloid (CHEBI:27288) |
| Incoming Relation(s) |
| vinflunine (CHEBI:90241) has functional parent vinorelbine (CHEBI:480999) |
| vinorelbine D-tartrate (CHEBI:53750) has part vinorelbine (CHEBI:480999) |
| vinorelbine L-tartrate (CHEBI:32296) has part vinorelbine (CHEBI:480999) |
| IUPAC Name |
|---|
| methyl (2β,3β,4β,5α,12β,19α)-4-acetoxy-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate |
| INNs | Source |
|---|---|
| vinorelbine | KEGG DRUG |
| vinorelbina | DrugBank |
| vinorelbinum | DrugBank |
| Synonym | Source |
|---|---|
| Nor-5'-anhydrovinblastine | ChemIDplus |