CHEBI:222572 - Tyrocitabine-752

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-752
ChEBI ID CHEBI:222572
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H45N6O13P
Net Charge 0
Average Mass 752.715
Monoisotopic Mass 752.27822
InChI InChI=1S/C32H45N6O13P/c1-2-3-4-5-6-7-24(42)48-28-22(47-31(26(28)43)38-17-37-25-29(33)35-16-36-30(25)38)15-46-52(44,45)51-32-23(12-18-8-10-19(40)11-9-18)34-13-21(49-32)27(50-32)20(41)14-39/h8-11,16-17,20-23,26-28,31,34,39-41,43H,2-7,12-15H2,1H3,(H,44,45)(H2,33,35,36)
InChIKey NQAVZVIIUVQDRC-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(C4OC(=O)CCCCCCC)O)O
Metabolite of Species Details
Lactobacillus iners LEAF 2052A-d (NCBI:txid879302) See: PubMed
ChEBI Ontology
Outgoing Tyrocitabine-752 (CHEBI:222572) is a purine ribonucleoside monophosphate (CHEBI:26397)