CHEBI:185169 - PKHdiA-PA

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 PKHdiA-PA
ChEBI ID CHEBI:185169
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H45O11P
Net Charge 0
Average Mass 564.609
Monoisotopic Mass 564.26995
InChI InChI=1S/C26H45O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(30)35-20-23(21-36-38(32,33)34)37-26(31)19-17-22(27)16-18-24(28)29/h16,18,23H,2-15,17,19-21H2,1H3,(H,28,29)(H2,32,33,34)/b18-16+/t23-/m1/s1
InChIKey UPUOTNABCHAZDY-YJCCFKNTSA-N
SMILES P(OC[C@H](OC(=O)CCC(=O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(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 PKHdiA-PA (CHEBI:185169) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
(E)-7-[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]oxy-4,7-dioxohept-2-enoic acid
Manual Xrefs Databases
113380999 ChemSpider
LMGP20070012 LIPID MAPS
View more database links