CHEBI:222556 - Tyrocitabine-626

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Tyrocitabine-626
ChEBI ID CHEBI:222556
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H31N6O12P
Net Charge 0
Average Mass 626.516
Monoisotopic Mass 626.17376
InChI InChI=1S/C24H31N6O12P/c25-21-17-22(28-9-27-21)30(10-29-17)23-19(35)18(34)15(39-23)8-38-43(36,37)42-24-16(5-11-1-3-12(32)4-2-11)26-6-14(40-24)20(41-24)13(33)7-31/h1-4,9-10,13-16,18-20,23,26,31-35H,5-8H2,(H,36,37)(H2,25,27,28)
InChIKey GLCTWQYGGOOIEF-UHFFFAOYSA-N
SMILES P(=O)(OC12OC(C(O)CO)C(O1)CNC2CC3=CC=C(O)C=C3)(OCC4OC(N5C6=NC=NC(=C6N=C5)N)C(C4O)O)O
Metabolite of Species Details
Lactobacillus iners LEAF 2052A-d (NCBI:txid879302) See: PubMed
ChEBI Ontology
Outgoing Tyrocitabine-626 (CHEBI:222556) is a purine ribonucleoside monophosphate (CHEBI:26397)