CHEBI:187466 - PHODA-PA

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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 PHODA-PA
ChEBI ID CHEBI:187466
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H57O10P
Net Charge 0
Average Mass 620.761
Monoisotopic Mass 620.36894
InChI InChI=1S/C31H57O10P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-30(34)39-26-29(27-40-42(36,37)38)41-31(35)24-19-16-13-14-17-21-28(33)22-20-25-32/h20,22,25,28-29,33H,2-19,21,23-24,26-27H2,1H3,(H2,36,37,38)/b22-20+/t28?,29-/m1/s1
InChIKey QVIJALCHDWNZAH-SROCVZBCSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCC(O)/C=C/C=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 PHODA-PA (CHEBI:187466) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(E)-9-hydroxy-12-oxododec-10-enoyl]oxy-3-phosphonooxypropyl] hexadecanoate
Manual Xrefs Databases
113380988 ChemSpider
LMGP20070001 LIPID MAPS
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