CHEBI:79948 - S 1033

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name S 1033
ChEBI ID CHEBI:79948
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H33NaO4
Net Charge 0
Average Mass 360.46340
Monoisotopic Mass 360.22765
InChI InChI=1S/C20H34O4.Na/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24;/h7,9-10,12,16-19,21-22H,2-6,8,11,13-15H2,1H3,(H,23,24);/q;+1/p-1/b10-7-,12-9+;/t16-,17-,18-,19+;/m1./s1
InChIKey WESGECMANBOOPN-CYMBGFKMSA-M
SMILES [Na+].CCCCCC\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC([O-])=O
ChEBI Ontology
Outgoing S 1033 (CHEBI:79948) is a organic molecular entity (CHEBI:50860)
Synonym Source
(5Z,9alpha,11alpha,13E)-9,11-Dihydroxyprosta-5,13-dien-1-oic acid monosodium salt KEGG COMPOUND
Manual Xref Database
C15450 KEGG COMPOUND
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