ChEBI


 20 19  0  0  0  0  0  0  0  0  2 V2000
   26.9400  -25.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8312  -26.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9400  -24.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7224  -25.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6136  -26.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5048  -25.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3960  -26.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2872  -25.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1784  -26.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0696  -25.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0488  -26.5648    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.9608  -26.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9608  -27.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8520  -28.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8520  -29.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9608  -30.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9608  -31.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0696  -32.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1784  -31.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2872  -32.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  CHG  1  11  -1
M  END
> <ID>
CHEBI:32387

> <NAME>
alpha-linolenate

> <DEFINITION>
A linolenate that is the conjugate base of α-linolenic acid, arising from deprotonation of the carboxylic acid group.

> <STAR>
3

> <SYNONYM>
linolenate; cis,cis,cis-9,12,15-octadecatrienoate; all-cis--9,12,15-octadecatrienoate; (9Z,12Z,15Z)-octadecatrienoate; (9,12,15)-linolenate

> <IUPAC_NAME>
(9Z,12Z,15Z)-octadeca-9,12,15-trienoate

> <FORMULA>
C18H29O2

> <MASS>
277.42166

> <MONOISOTOPIC_MASS>
277.21730

> <CHARGE>
-1

> <SMILES>
CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O

> <INCHI>
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/p-1/b4-3-,7-6-,10-9-

> <INCHIKEY>
DTOSIQBPPRVQHS-PDBXOOCHSA-M

> <GMELIN_REGISTRY_NUMBER>
377245

$$$$