CHEBI:196816 - PG(18:0/13:0)

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 PG(18:0/13:0)
ChEBI ID CHEBI:196816
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H73O10P
Net Charge 0
Average Mass 708.955
Monoisotopic Mass 708.49414
InChI InChI=1S/C37H73O10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-36(40)44-32-35(33-46-48(42,43)45-31-34(39)30-38)47-37(41)29-27-25-23-20-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,42,43)/t34-,35+/m0/s1
InChIKey XJUQIQOHBWZVLH-OIDHKYIRSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PG(18:0/13:0) (CHEBI:196816) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-tridecanoyloxypropyl] octadecanoate
Manual Xrefs Databases
113377048 ChemSpider
LMGP04010308 LIPID MAPS
View more database links