CHEBI:217138 - Anaenoic 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 Anaenoic acid
ChEBI ID CHEBI:217138
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O7
Net Charge 0
Average Mass 408.491
Monoisotopic Mass 408.21480
InChI InChI=1S/C22H32O7/c1-6-8-9-11-16-12-10-13-17(27-5)18(16)21(25)29-19(14(3)7-2)22(26)28-15(4)20(23)24/h10,12-15,19H,6-9,11H2,1-5H3,(H,23,24)/t14-,15-,19+/m0/s1
InChIKey TYXOAKSZEQQQPP-YZVOILCLSA-N
SMILES O=C(O[C@@H](C(=O)O[C@H](C(=O)O)C)[C@H](CC)C)C1=C(OC)C=CC=C1CCCCC
Metabolite of Species Details
Hormoscilla (NCBI:txid881023) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Anaenoic acid (CHEBI:217138) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name
(2S)-2-[(2R,3S)-2-(2-methoxy-6-pentylbenzoyl)oxy-3-methylpentanoyl]oxypropanoic acid
Manual Xref Database
84285763 ChemSpider
View more database links