CHEBI:171691 - 3-Hydroxyhexadecadienoylcarnitine

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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 3-Hydroxyhexadecadienoylcarnitine
ChEBI ID CHEBI:171691
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H41NO5
Net Charge 0
Average Mass 411.583
Monoisotopic Mass 411.29847
InChI InChI=1S/C23H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h7-8,10-11,20-21,25H,5-6,9,12-19H2,1-4H3/b8-7-,11-10-/t20?,21-/m0/s1
InChIKey CBBAYEUCTOLHMQ-WLXWJKFFSA-N
SMILES O([C@H]([N+](C)(C)C)CCC([O-])=O)C(=O)CC(O)CCCCC/C=C\C/C=C\CCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). See: MetaboLights Study
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-Hydroxyhexadecadienoylcarnitine (CHEBI:171691) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name
(4S)-4-[(9Z,12Z)-3-hydroxyhexadeca-9,12-dienoyl]oxy-4-(trimethylazaniumyl)butanoate
Manual Xrefs Databases
35032594 ChemSpider
HMDB0013335 HMDB
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