S 1033 (CHEBI:79948)

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CHEBI:79948 - S 1033

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ChEBI ID	CHEBI:79948
ChEBI Name	S 1033
Stars
Downloads	Molfile

Formula	C20H33O4.Na
Net Charge	0
Average Mass	360.470
Monoisotopic Mass	360.22765
SMILES	CCCCCC/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@H]1O.[Na+]
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

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
C15450	KEGG COMPOUND