CHEBI:197180 - PG(12:0/18:3(9Z,12Z,15Z))

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ChEBI Name PG(12:0/18:3(9Z,12Z,15Z))
ChEBI ID CHEBI:197180
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H65O10P
Net Charge 0
Average Mass 688.880
Monoisotopic Mass 688.43154
InChI InChI=1S/C36H65O10P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-36(40)46-34(32-45-47(41,42)44-30-33(38)29-37)31-43-35(39)27-25-23-21-19-12-10-8-6-4-2/h5,7,11,13,15-16,33-34,37-38H,3-4,6,8-10,12,14,17-32H2,1-2H3,(H,41,42)/b7-5-,13-11-,16-15-/t33-,34+/m0/s1
InChIKey JNPGPOUUYSKGFG-LEOPJKEOSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
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(12:0/18:3(9Z,12Z,15Z)) (CHEBI:197180) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual Xrefs Databases
113376811 ChemSpider
LMGP04010055 LIPID MAPS
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