PG(12:0/0:0) (CHEBI:169515)

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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	PG(12:0/0:0)

ChEBI ID	CHEBI:169515

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H37O9P

Net Charge

Average Mass

428.459

Monoisotopic Mass

428.21752

InChI

InChI=1S/C18H37O9P/c1-2-3-4-5-6-7-8-9-10-11-18(22)25-13-17(21)15-27-28(23,24)26-14-16(20)12-19/h16-17,19-21H,2-15H2,1H3,(H,23,24)/t16-,17+/m0/s1

InChIKey

IACXMECMZISNLR-DLBZAZTESA-N

SMILES

P(OC[C@H](O)COC(=O)CCCCCCCCCCC)(OC[C@@H](O)CO)(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

ChEBI Ontology
Outgoing	PG(12:0/0:0) (CHEBI:169515) is a glycerophosphoglycerols (CHEBI:24360)

IUPAC Name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] dodecanoate