chorismate

chorismate




Chemical Formula:
C10H8O6
Molecular Weight:
224.17 Daltons
Monoisotopic Mass:
226.04773805359997 Daltons
SMILES:
C=C(C(=O)[O-])OC1(C(O)C=CC(C([O-])=O)=C1)
InChI:
1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m1/s1
InChIKey:
WTFXTQVDAKGDEY-HTQZYQBOSA-L

Synonyms
  • chorismic acid
  • (3R,4R)-3-[(1-Carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylate

Databases
MetaCyc:  CHORISMATE
RefMet:  Chorismic acid
BiGG:  chor
HMDB:  HMDB12199
ChemSpider:  4573889
PubChem (CID):  5460312 12039
ChEBI:  29748 17333
CAS:  55508-12-8
KEGG:  C00251
PupChem (SID):  3550
KNApSAcK:  C00000733
PDB-CCD:  ISJ
3DMET:  B01200
NIKKAJI:  J7.035A
Reactome:  964856
Seed:  cpd00216
MetaNetX:  MNXM337