CHEBI:187667 - OKODA-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 OKODA-PA
ChEBI ID CHEBI:187667
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000058638841
Download Molfile XML SDF
Formula C33H57O10P
Net Charge 0
Average Mass 644.783
Monoisotopic Mass 644.36894
InChI InChI=1S/C33H57O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-32(36)41-28-31(29-42-44(38,39)40)43-33(37)26-21-18-15-16-19-23-30(35)24-22-27-34/h9-10,22,24,27,31H,2-8,11-21,23,25-26,28-29H2,1H3,(H2,38,39,40)/b10-9-,24-22+/t31-/m1/s1
InChIKey ABQNJNYAIISVFZ-HVACQRAMSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCC(=O)/C=C/C=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(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 OKODA-PA (CHEBI:187667) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(E)-9,12-dioxododec-10-enoyl]oxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Manual Xrefs Databases
113381020 ChemSpider
LMGP20070033 LIPID MAPS
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