CHEBI:169479 - PGP(16:1(9Z)/16:1(9Z))

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ChEBI Name PGP(16:1(9Z)/16:1(9Z))
ChEBI ID CHEBI:169479
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H72O13P2
Net Charge 0
Average Mass 798.929
Monoisotopic Mass 798.44482
InChI InChI=1S/C38H72O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(40)47-33-36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35-36,39H,3-12,17-34H2,1-2H3,(H,45,46)(H2,42,43,44)/b15-13-,16-14-/t35-,36+/m0/s1
InChIKey PTJJTQQVMKSSOK-NWHZUZAFSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(OC[C@@H](O)COP(O)(O)=O)(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
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 PGP(16:1(9Z)/16:1(9Z)) (CHEBI:169479) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxypropyl] (Z)-hexadec-9-enoate
Manual Xrefs Databases
35032667 ChemSpider
HMDB0013488 HMDB
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