CHEBI:182522 - (Z)-7-[(2R,3S,4S,6S)-4,6-Dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (Z)-7-[(2R,3S,4S,6S)-4,6-Dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoic acid
ChEBI ID CHEBI:182522
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O6
Net Charge 0
Average Mass 370.486
Monoisotopic Mass 370.23554
InChI InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20-/m0/s1
InChIKey XNRNNGPBEPRNAR-VTCRGFIFSA-N
SMILES O1[C@@H]([C@H]([C@@H](O)C[C@H]1O)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)CCCCC
ChEBI Ontology
Outgoing (Z)-7-[(2R,3S,4S,6S)-4,6-Dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoic acid (CHEBI:182522) is a thromboxane (CHEBI:26995)
IUPAC Name
(Z)-7-[(2R,3S,4S,6S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoic acid
Manual Xrefs Databases
4444413 ChemSpider
C05963 KEGG COMPOUND
View more database links