EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2746 - Anopterine

ChEBI IDCHEBI:2746
ChEBI NameAnopterine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H43NO7
Net Charge0
Average Mass541.685
Monoisotopic Mass541.30395
SMILES[H][C@@]12[C@H](OC(=O)/C(C)=C/C)[C@H](OC(=O)/C(C)=C/C)[C@H]3C(=C)C[C@@]14C[C@H](O)[C@]1(O)[C@@]5(C)C[C@H](O)C[C@@]21C(C34)N(C)C5
InChIInChI=1S/C31H43NO7/c1-8-15(3)26(35)38-22-20-17(5)10-29-13-19(34)31(37)28(6)11-18(33)12-30(31,25(21(20)29)32(7)14-28)24(29)23(22)39-27(36)16(4)9-2/h8-9,18-25,33-34,37H,5,10-14H2,1-4,6-7H3/b15-8+,16-9+/t18-,19-,20?,21?,22+,23+,24+,25?,28-,29-,30-,31-/m0/s1
InChIKeyPISLVTVZMHAKFK-AXLYXMLPSA-N
ChEBI Ontology
Outgoing Relation(s)
Anopterine (CHEBI:2746) is a fatty acid ester (CHEBI:35748)
Synonym  Source
AnopterineKEGG COMPOUND
Manual XrefsDatabases
C00001614KNApSAcK
C08658KEGG COMPOUND
Registry NumbersSources
CAS:38826-62-9KEGG COMPOUND