CHEBI:186903 - 12-HETE-Gly

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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 12-HETE-Gly
ChEBI ID CHEBI:186903
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H35NO4
Net Charge 0
Average Mass 377.525
Monoisotopic Mass 377.25661
InChI InChI=1S/C22H35NO4/c1-2-3-4-5-10-13-16-20(24)17-14-11-8-6-7-9-12-15-18-21(25)23-19-22(26)27/h7-11,13-14,17,20,24H,2-6,12,15-16,18-19H2,1H3,(H,23,25)(H,26,27)/b9-7-,11-8-,13-10-,17-14+/t20-/m0/s1
InChIKey IEDOAPXQRUEANC-DJNHXDDZSA-N
SMILES O[C@@H](C/C=C\CCCCC)/C=C/C=C\C/C=C\CCCC(=O)NCC(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
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 12-HETE-Gly (CHEBI:186903) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name
2-[[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]amino]acetic acid
Manual Xrefs Databases
113371124 ChemSpider
LMFA08020144 LIPID MAPS
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