CHEBI:183336 - 3-[(methoxycarbonyl)amino]-2,2,3-trimethylbutanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-[(methoxycarbonyl)amino]-2,2,3-trimethylbutanoic acid
ChEBI ID CHEBI:183336
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H17NO4
Net Charge 0
Average Mass 203.238
Monoisotopic Mass 203.11576
InChI InChI=1S/C9H17NO4/c1-8(2,6(11)12)9(3,4)10-7(13)14-5/h1-5H3,(H,10,13)(H,11,12)
InChIKey QTEBFSANEDARCQ-UHFFFAOYSA-N
SMILES OC(=O)C(C(NC(OC)=O)(C)C)(C)C
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). 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-[(methoxycarbonyl)amino]-2,2,3-trimethylbutanoic acid (CHEBI:183336) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name
3-(methoxycarbonylamino)-2,2,3-trimethylbutanoic acid
Manual Xref Database
2081613 ChemSpider
View more database links