Allo-murolic acid (CHEBI:213585)

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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	Allo-murolic acid

ChEBI ID	CHEBI:213585

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H36O5

Net Charge

Average Mass

368.514

Monoisotopic Mass

368.25627

InChI

InChI=1S/C21H36O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h16,18-19,22H,2-15H2,1H3,(H,23,24)/t16-,18+,19+/m1/s1

InChIKey

UYUDMGMNHAKPEV-NEWSRXKRSA-N

SMILES

O=C1O[C@@H](CCCCCCCCCCCCC[C@H](O)C)[C@H](C1=C)C(=O)O

ChEBI Ontology
Outgoing	Allo-murolic acid (CHEBI:213585) is a long-chain fatty alcohol (CHEBI:17135)

IUPAC Name

(2S,3S)-2-[(14R)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid