CHEBI:186443 - PA(22:2(13Z,16Z)/16:0)

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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 PA(22:2(13Z,16Z)/16:0)
ChEBI ID CHEBI:186443
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H77O8P
Net Charge 0
Average Mass 729.033
Monoisotopic Mass 728.53561
InChI InChI=1S/C41H77O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,39H,3-10,12,14-16,19-38H2,1-2H3,(H2,44,45,46)/b13-11-,18-17-/t39-/m1/s1
InChIKey AYQTZHNWLKMPAX-XKKGNKCGSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PA(22:2(13Z,16Z)/16:0) (CHEBI:186443) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-hexadecanoyloxy-3-phosphonooxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
74877039 ChemSpider
HMDB0115299 HMDB
LMGP10010761 LIPID MAPS
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