CHEBI:103835 - 7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid
ChEBI ID CHEBI:103835
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H29ClO6
Net Charge 0
Average Mass 424.916
Monoisotopic Mass 424.16527
InChI InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/t16-,18-,19-,20+,21-/m1/s1
InChIKey VJGGHXVGBSZVMZ-LELZANKISA-N
SMILES C1[C@@H]([C@@H]([C@H]([C@@H]1O)C=C[C@H](COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O
ChEBI Ontology
Outgoing 7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid (CHEBI:103835) is a prostanoid (CHEBI:26347)
Manual Xref Database
LSM-15182 LINCS
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