CHEBI:5548 - Gsh-prostaglandin A1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Gsh-prostaglandin A1
ChEBI ID CHEBI:5548
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H32O4.C10H17N3O6S
Net Charge 0
Average Mass 643.791
Monoisotopic Mass 643.31387
InChI InChI=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
InChIKey MZFPLZIEMXJRPW-YOSZFRDTSA-N
SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O.CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O
ChEBI Ontology
Outgoing Gsh-prostaglandin A1 (CHEBI:5548) is a organic molecular entity (CHEBI:50860)
Synonym Source
Gsh-prostaglandin A1 KEGG COMPOUND
Manual Xref Database
C11367 KEGG COMPOUND
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Registry Number Type Source
61631-70-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014