(-)-threo-isotrihomocitrate(3-) (CHEBI:177881)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:177881 - (−)-threo-isotrihomocitrate(3−)

Take structure to advanced search

ChEBI ID	CHEBI:177881
ChEBI Name	(−)-threo-isotrihomocitrate(3−)
Stars
ASCII Name	(-)-threo-isotrihomocitrate(3-)
Submitter	Elisabeth Coudert
Downloads	Molfile

Formula	C9H11O7
Net Charge	-3
Average Mass	231.180
Monoisotopic Mass	231.05212
SMILES	O=C([O-])CCCC[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]
InChI	InChI=1S/C9H14O7/c10-6(11)4-2-1-3-5(8(13)14)7(12)9(15)16/h5,7,12H,1-4H2,(H,10,11)(H,13,14)(H,15,16)/p-3/t5-,7+/m0/s1
InChIKey	NLOCBSDWTSPKMJ-CAHLUQPWSA-K

ChEBI Ontology

Outgoing Relation(s)
	(−)-threo-isotrihomocitrate(3−) (CHEBI:177881) is a tricarboxylic acid trianion (CHEBI:27092)
	(−)-threo-isotrihomocitrate(3−) (CHEBI:177881) is conjugate base of 1-Hydroxyhexane-1,2,6-tricarboxylate (CHEBI:80595)
Incoming Relation(s)
	1-Hydroxyhexane-1,2,6-tricarboxylate (CHEBI:80595) is conjugate acid of (−)-threo-isotrihomocitrate(3−) (CHEBI:177881)

Synonym	Source
(2R,3S)-isotrihomocitrate	SUBMITTER

UniProt Name	Source
(2R,3S)-iso(homo)₃citrate	UniProt

Manual Xrefs	Databases
CPD-336	MetaCyc

Citations