CHEBI:230788 - pa(12:0/17:1(9z))

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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(12:0/17:1(9z))
ChEBI ID CHEBI:230788
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H61O8P
Net Charge 0
Average Mass 604.806
Monoisotopic Mass 604.41041
InChI InChI=1S/C32H61O8P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-32(34)40-30(29-39-41(35,36)37)28-38-31(33)26-24-22-20-18-12-10-8-6-4-2/h14-15,30H,3-13,16-29H2,1-2H3,(H2,35,36,37)/b15-14-/t30-/m1/s1
InChIKey KBORGMGCWLCUTO-QKLXQQGTSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCC)(O)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing pa(12:0/17:1(9z)) (CHEBI:230788) is a organic molecular entity (CHEBI:50860)
IUPAC Name
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (Z)-heptadec-9-enoate
Manual Xrefs Databases
113378840 ChemSpider
LMGP10010049 LIPID MAPS
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