xi-7-Hydroxyhexadecanedioic acid (CHEBI:169754)

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	xi-7-Hydroxyhexadecanedioic acid

ChEBI ID	CHEBI:169754

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H30O5

Net Charge

Average Mass

302.411

Monoisotopic Mass

302.20932

InChI

InChI=1S/C16H30O5/c17-14(11-7-5-9-13-16(20)21)10-6-3-1-2-4-8-12-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21)

InChIKey

BNKCVLYEVLBHCL-UHFFFAOYSA-N

SMILES

OC(CCCCCCCCC(O)=O)CCCCCC(O)=O

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	xi-7-Hydroxyhexadecanedioic acid (CHEBI:169754) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

7-hydroxyhexadecanedioic acid