9-B1-PhytoP (CHEBI:173192)

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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	9-B1-PhytoP

ChEBI ID	CHEBI:173192

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H28O4

Net Charge

Average Mass

308.418

Monoisotopic Mass

308.19876

InChI

InChI=1S/C18H28O4/c1-2-14-10-13-17(20)16(14)12-11-15(19)8-6-4-3-5-7-9-18(21)22/h11-12,15,19H,2-10,13H2,1H3,(H,21,22)/b12-11+/t15-/m0/s1

InChIKey

FBBJRRDLBWJGIR-RUMSDORHSA-N

SMILES

O[C@@H](CCCCCCCC(O)=O)/C=C/C1=C(CCC1=O)CC

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	Found in feces (BTO:0000440). of strain [] 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	9-B1-PhytoP (CHEBI:173192) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(E,9S)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundec-10-enoic acid