CHEBI:177700 - Elacytarabine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Elacytarabine
ChEBI ID CHEBI:177700
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H45N3O6
Net Charge 0
Average Mass 507.672
Monoisotopic Mass 507.33084
InChI InChI=1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-20-21-24(32)25(33)26(36-21)30-19-18-22(28)29-27(30)34/h9-10,18-19,21,24-26,32-33H,2-8,11-17,20H2,1H3,(H2,28,29,34)/b10-9+/t21-,24-,25+,26-/m1/s1
InChIKey FLFGNMFWNBOBGE-FNNZEKJRSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H]1N2C=CC(=NC2=O)N)COC(=O)CCCCCCC/C=C/CCCCCCCC
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Elacytarabine (CHEBI:177700) is a pyrimidine nucleoside (CHEBI:26440)
IUPAC Name
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate
Manual Xrefs Databases
4943338 ChemSpider
D09712 KEGG DRUG
DB05494 KEGG DRUG
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Registry Number Type Source
101235-34-1 CAS Registry Number ChemIDplus