EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94846 - 2-amino-2-methoxypropane-1,3-diol 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid

ChEBI IDCHEBI:94846
ChEBI Name2-amino-2-methoxypropane-1,3-diol 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid
Stars
DownloadsMolfile
FormulaC20H34O5.C4H11NO3
Net Charge0
Average Mass475.623
Monoisotopic Mass475.31452
SMILESCCCCC[C@H](O)C=C[C@@H]1[C@@H](CC=CCCCC(=O)O)[C@@H](O)C[C@H]1O.COC(N)(CO)CO
InChIInChI=1S/C20H34O5.C4H11NO3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;1-8-4(5,2-6)3-7/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-7H,2-3,5H2,1H3/t15-,16+,17+,18-,19+;/m0./s1
InChIKeyRLFNJGOHWGRCER-NULUWHCBSA-N
ChEBI Ontology
Outgoing Relation(s)
2-amino-2-methoxypropane-1,3-diol 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]-5-heptenoic acid (CHEBI:94846) is a prostanoid (CHEBI:26347)
Manual XrefsDatabases
LSM-6063LINCS