input word = C00034175

Metabolite InformationStructural formula
Name 1,22-Docosane dioic acid
Formula C22H42O4
Mw 370.30830983
CAS RN 505-56-6
C_ID C00034175 ,
InChIKey QWAHFQISKZTEOO-LHUTUWQINA-N
InChICode InChI=1S/C24H26N2O7/c1-31-16-6-4-5-13-18(16)26(21(30)33-3)23(20(29)32-2)10-9-22-8-7-17(28)25-12-14(15(27)11-22)24(13,23)19(22)25/h4-6,14,19H,7-12H2,1-3H3/t14-,19+,22-,23-,24+/m1/s1
SMILES COC(=O)N1c2c(OC)cccc2C23[C@@H]4CN5C(=O)CC[C@@](CC[C@]12C(=O)OC)(CC4=O)[C@H]53
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeOxalidaceaeOxalis corniculata Ref.
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