CHEBI:80595 - 1-Hydroxyhexane-1,2,6-tricarboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-Hydroxyhexane-1,2,6-tricarboxylate
ChEBI ID CHEBI:80595
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H14O7
Net Charge 0
Average Mass 234.20330
Monoisotopic Mass 234.07395
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)/t5-,7+/m0/s1
InChIKey NLOCBSDWTSPKMJ-CAHLUQPWSA-N
SMILES O[C@H]([C@H](CCCCC(O)=O)C(O)=O)C(O)=O
ChEBI Ontology
Outgoing 1-Hydroxyhexane-1,2,6-tricarboxylate (CHEBI:80595) is a carbonyl compound (CHEBI:36586)
1-Hydroxyhexane-1,2,6-tricarboxylate (CHEBI:80595) is conjugate acid of (−)-threo-isotrihomocitrate(3−) (CHEBI:177881)
Incoming (−)-threo-isotrihomocitrate(3−) (CHEBI:177881) is conjugate base of 1-Hydroxyhexane-1,2,6-tricarboxylate (CHEBI:80595)
Manual Xref Database
C16600 KEGG COMPOUND
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