input word = C00055048

Metabolite InformationStructural formula
Name 2-Carboxy-alpha-[(3-carboxy-3-hydroxypropyl)amino]-beta-hydroxy-1-azetidinebutanoic acid
Formula C12H20N2O8
Mw 320.12196563
CAS RN 69199-37-7
C_ID C00055048
InChIKey GJRGEVKCJPPZIT-JBDRJPRFSA-N
InChICode InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-,9-/m0/s1
SMILES O[C@H](C(O)=O)CCN[C@H](C(O)=O)[C@@H](O)CN1CC[C@H]1C(O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeHordeum vulgare Ref.
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OrganismHordeum vulgare
ReferenceNomoto, K. et al., Chimia, 1981, 35, 249-250 (2'-Deoxymugineic acid)