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CHEBI:5548 - Gsh-prostaglandin A1

Default Structure
ChEBI IDCHEBI:5548
ChEBI NameGsh-prostaglandin A1
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H17N3O6S.C20H32O4
Net Charge0
Average Mass643.800
Monoisotopic Mass643.31387
SMILESCCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C20H32O4.C10H17N3O6S/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24;11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h12-18,21H,2-11H2,1H3,(H,23,24);5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/b14-12+;/t16-,17-,18+;5-,6-/m00/s1
InChIKeyMZFPLZIEMXJRPW-YOSZFRDTSA-N
ChEBI Ontology
Outgoing Relation(s)
Gsh-prostaglandin A1 (CHEBI:5548) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Gsh-prostaglandin A1KEGG COMPOUND
Manual XrefsDatabases
C11367KEGG COMPOUND
Registry NumbersSources
CAS:61631-70-7KEGG COMPOUND