ent-9-A1-PhytoP (CHEBI:192965)

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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	ent-9-A1-PhytoP

ChEBI ID	CHEBI:192965

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/h10-16,19H,2-9H2,1H3,(H,21,22)/b12-11+/t14-,15-,16-/m1/s1

InChIKey

GSIHBOIIJFLKIL-DJVMPUSXSA-N

SMILES

O[C@H](CCCCCCCC(O)=O)\C=C\[C@@H]1[C@H](CC)C=CC1=O

Metabolite of Species	Details
Cryptomeria (NCBI:txid3368)	Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk 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	ent-9-A1-PhytoP (CHEBI:192965) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(E,9R)-11-[(1R,2R)-2-ethyl-5-oxocyclopent-3-en-1-yl]-9-hydroxyundec-10-enoic acid