CHEBI:189961 - PG(a-13:0/i-12:0)

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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(a-13:0/i-12:0)
ChEBI ID CHEBI:189961
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H61O10P
Net Charge 0
Average Mass 624.793
Monoisotopic Mass 624.40024
InChI InChI=1S/C31H61O10P/c1-5-27(4)19-15-11-7-9-12-16-20-30(34)38-24-29(25-40-42(36,37)39-23-28(33)22-32)41-31(35)21-17-13-8-6-10-14-18-26(2)3/h26-29,32-33H,5-25H2,1-4H3,(H,36,37)/t27?,28-,29+/m0/s1
InChIKey SHJITKGNMNMLLJ-CVWZLOPKSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCC(C)C)COC(=O)CCCCCCCCC(CC)C)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
marine plankton environmental sample (NCBI:txid632957) Found in endometabolome 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(a-13:0/i-12:0) (CHEBI:189961) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(10-methylundecanoyloxy)propyl] 10-methyldodecanoate
Manual Xrefs Databases
74878354 ChemSpider
HMDB0116642 HMDB
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