CHEBI:196740 - PE(16:0/17:1(9Z))

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ChEBI Name PE(16:0/17:1(9Z))
ChEBI ID CHEBI:196740
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C38H74NO8P
Net Charge 0
Average Mass 703.983
Monoisotopic Mass 703.51521
InChI InChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15,17,36H,3-14,16,18-35,39H2,1-2H3,(H,42,43)/b17-15-/t36-/m1/s1
InChIKey CBDUTJYWWDMHBN-HZVSPZAISA-N
SMILES P(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(OCCN)(O)=O
ChEBI Ontology
Outgoing PE(16:0/17:1(9Z)) (CHEBI:196740) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-heptadec-9-enoate
Manual Xrefs Databases
113375876 ChemSpider
LMGP02011226 LIPID MAPS
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