CHEBI:188859 - Cyclohexane-1,2-diaminetetraacetic acid

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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 Cyclohexane-1,2-diaminetetraacetic acid
ChEBI ID CHEBI:188859
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H22N2O8
Net Charge 0
Average Mass 346.336
Monoisotopic Mass 346.13762
InChI InChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey FCKYPQBAHLOOJQ-UHFFFAOYSA-N
SMILES OC(=O)CN(C1C(N(CC(O)=O)CC(O)=O)CCCC1)CC(O)=O
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing Cyclohexane-1,2-diaminetetraacetic acid (CHEBI:188859) has functional parent tetracarboxylic acid (CHEBI:35742)
Cyclohexane-1,2-diaminetetraacetic acid (CHEBI:188859) is a organooxygen compound (CHEBI:36963)
IUPAC Name
2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
Manual Xref Database
9798 ChemSpider
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Registry Number Type Source
482-54-2 CAS Registry Number ChemIDplus