CHEBI:31340 - Calcium folinate

ChEBI IDCHEBI:31340
ChEBI NameCalcium folinate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC20H21N7O7.Ca
Net Charge0
Average Mass511.508
Monoisotopic Mass511.11284
SMILESNc1nc2c(c(=O)n1)N(C=O)C(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2.[Ca+2]
InChIInChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12?,13-;/m0./s1
InChIKeyKVUAALJSMIVURS-ZEDZUCNESA-L
Roles Classification
Biological Role:
water-soluble vitamin (role)  Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
Application:
nutraceutical  A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
ChEBI Ontology
Outgoing Relation(s)
Calcium folinate (CHEBI:31340) is a tetrahydrofolic acid (CHEBI:26907)
Synonyms  Source
Calcium folinateKEGG COMPOUND
Leucovorin calciumKEGG COMPOUND
Manual XrefsDatabases
D01211KEGG DRUG
Registry NumbersSources
CAS:1492-18-8KEGG COMPOUND