CHEBI:187946 - 16:3(2E,10E,12E)(3Me,5Me[R],7My,15Me)

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ChEBI Name 16:3(2E,10E,12E)(3Me,5Me[R],7My,15Me)
ChEBI ID CHEBI:187946
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O2
Net Charge 0
Average Mass 304.474
Monoisotopic Mass 304.24023
InChI InChI=1S/C20H32O2/c1-16(2)11-9-7-6-8-10-12-17(3)13-18(4)14-19(5)15-20(21)22/h6-9,15-16,18H,3,10-14H2,1-2,4-5H3,(H,21,22)/b8-6+,9-7+,19-15+/t18-/m1/s1
InChIKey XQIKRXUJLGQAKM-DNIQSHCLSA-N
SMILES OC(=O)\C=C(\C[C@@H](CC(CC\C=C\C=C\CC(C)C)=C)C)/C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 16:3(2E,10E,12E)(3Me,5Me[R],7My,15Me) (CHEBI:187946) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(2E,5R,10E,12E)-3,5,15-trimethyl-7-methylidenehexadeca-2,10,12-trienoic acid
Manual Xrefs Databases
113369091 ChemSpider
LMFA01020367 LIPID MAPS
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